data_1e7j_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 1e7j _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 ' 8' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.452 -0.931 0 N-CA-C 110.761 -0.515 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.01 158.18 25.22 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -91.11 166.55 12.92 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.14 67.76 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.494 1.118 . . . . 0.0 111.079 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.73 -35.29 78.48 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.19 0.996 . . . . 0.0 109.265 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -69.23 -36.63 77.4 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.75 1.22 . . . . 0.0 111.708 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.4 -37.56 83.3 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.988 1.315 . . . . 0.0 110.805 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -71.51 -35.77 70.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.865 0.866 . . . . 0.0 110.449 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.47 -37.81 88.82 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.799 0.84 . . . . 0.0 111.326 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -74.69 -37.4 62.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.846 0.858 . . . . 0.0 111.006 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 p -78.19 -38.22 43.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.312 0.645 . . . . 0.0 111.059 -175.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.53 -3.16 58.27 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 123.784 0.833 . . . . 0.0 111.644 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -57.92 -39.43 77.96 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 114.1 -168.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.0 -43.79 94.6 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.193 1.397 . . . . 0.0 110.697 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 -34.81 74.38 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.216 1.007 . . . . 0.0 111.358 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.13 -41.05 58.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 124.252 1.021 . . . . 0.0 109.824 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -7.08 56.2 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -175.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -79.94 -52.58 7.68 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.73 -41.9 43.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.491 0.717 . . . . 0.0 110.428 -170.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -91.73 132.0 34.27 Favored Pre-proline 0 C--N 1.353 0.754 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -81.1 91.85 1.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.971 2.447 . . . . 0.0 112.63 -163.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.14 31.24 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.9 tt -85.19 142.88 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 C-N-CA 124.485 1.114 . . . . 0.0 109.227 -168.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.86 162.88 13.73 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.5 -29.31 47.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 125.507 1.523 . . . . 0.0 113.325 -168.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.9 p -72.28 -29.91 64.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.709 1.204 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -87.67 -21.86 25.02 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.239 1.416 . . . . 0.0 109.775 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.4 t -73.47 -27.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 C-N-CA 124.559 1.144 . . . . 0.0 108.678 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.69 67.58 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.724 0.81 . . . . 0.0 112.13 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -71.3 -57.47 4.44 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 125.176 1.39 . . . . 0.0 109.911 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -76.26 -33.16 59.15 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 123.867 0.867 . . . . 0.0 110.776 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.42 -9.12 86.87 Favored Glycine 0 C--N 1.351 1.366 0 C-N-CA 124.082 0.848 . . . . 0.0 112.021 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -21.91 74.43 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.14 -44.18 39.53 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.837 1.255 . . . . 0.0 109.068 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -74.29 -35.35 63.72 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.74 1.216 . . . . 0.0 111.133 -174.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -56.68 -32.78 65.76 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 126.076 1.751 . . . . 0.0 112.744 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -60.5 -55.44 33.46 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 111.986 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.39 110.69 6.32 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -75.49 0.5 Allowed 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 175.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -136.5 -123.54 0.15 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -95.48 137.7 34.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -90.52 -25.88 20.03 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -67.98 -22.17 65.02 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 111.807 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.936 1.295 . . . . 0.0 109.665 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -81.87 -29.25 32.57 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.03 0.932 . . . . 0.0 110.642 -172.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -67.41 -37.25 82.78 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.811 1.244 . . . . 0.0 110.459 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.79 79.33 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.066 0.946 . . . . 0.0 110.792 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.87 -29.87 61.16 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.826 0.85 . . . . 0.0 111.174 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.41 63.89 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.952 0.901 . . . . 0.0 110.504 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.41 -40.3 67.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.633 1.173 . . . . 0.0 110.314 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.78 -37.38 81.99 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.918 0.887 . . . . 0.0 110.654 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.12 62.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.152 0.981 . . . . 0.0 111.966 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -72.16 -51.18 22.48 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.48 1.112 . . . . 0.0 109.527 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.13 -32.34 59.08 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.744 1.218 . . . . 0.0 110.602 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.75 -43.1 85.03 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.443 1.097 . . . . 0.0 109.348 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.88 -51.64 67.37 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.589 1.156 . . . . 0.0 110.015 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.03 -44.52 91.77 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.263 1.425 . . . . 0.0 112.048 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -73.59 -42.95 60.88 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 110.94 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.66 55.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 m -71.0 -22.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 119.138 0.881 . . . . 0.0 111.043 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.17 -41.2 86.35 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.873 0.869 . . . . 0.0 109.673 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.52 -36.67 52.2 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.384 1.074 . . . . 0.0 110.614 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.32 -46.88 72.2 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.149 1.78 . . . . 0.0 110.657 -175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.444 -0.733 0 C-N-CA 123.568 0.747 . . . . 0.0 111.017 -175.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo . . . . . 0 N--CA 1.451 -0.979 0 N-CA-C 108.444 -1.406 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -138.08 160.75 38.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.0 t -93.54 161.72 14.25 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.28 65.14 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 124.326 1.05 . . . . 0.0 110.397 -175.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -69.83 -35.87 75.12 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.709 1.204 . . . . 0.0 109.742 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.3 tpp -67.26 -34.62 77.82 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.824 1.25 . . . . 0.0 111.486 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.84 -36.43 75.56 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.935 1.294 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -74.32 -32.63 62.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.778 0.831 . . . . 0.0 110.386 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.6 -45.27 93.65 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.625 0.77 . . . . 0.0 112.152 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -74.15 -29.25 61.7 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.295 0.498 . . . . 0.0 112.234 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -81.01 -38.45 27.46 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.451 0.7 . . . . 0.0 110.413 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 3.12 48.42 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.734 0.814 . . . . 0.0 111.299 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -65.51 -37.04 85.62 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 125.27 1.428 . . . . 0.0 112.934 -169.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.59 -37.37 82.47 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.703 1.201 . . . . 0.0 111.256 -176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 m -71.3 -38.34 71.77 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.4 1.08 . . . . 0.0 110.839 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.48 -41.84 64.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.5 1.12 . . . . 0.0 109.373 -175.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.66 -11.22 60.13 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -77.05 -44.18 31.68 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.98 15.73 27.68 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.235 0.614 . . . . 0.0 111.063 -171.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -134.68 147.09 61.69 Favored Pre-proline 0 C--N 1.353 0.74 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -84.6 82.18 1.85 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.875 2.383 . . . . 0.0 112.119 -168.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.02 9.94 Favored Glycine 0 C--N 1.357 1.741 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 171.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.3 tt -87.2 144.15 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 C-N-CA 123.79 0.836 . . . . 0.0 109.258 -168.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -101.34 163.9 12.04 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.57 -23.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 125.603 1.561 . . . . 0.0 113.585 -164.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.1 p -68.68 -37.94 79.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.579 1.152 . . . . 0.0 110.736 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -94.57 -4.66 47.48 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.386 0.674 . . . . 0.0 110.656 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t -77.88 -33.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 167.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.4 -28.04 62.74 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.866 0.866 . . . . 0.0 110.793 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -70.71 -52.7 19.24 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.697 1.199 . . . . 0.0 109.778 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -77.49 -26.39 51.24 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.888 1.275 . . . . 0.0 111.087 -171.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.45 3.45 85.27 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.807 -0.558 . . . . 0.0 112.084 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.55 -34.72 49.0 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -73.75 -37.51 65.03 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.583 1.153 . . . . 0.0 109.342 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.71 -44.78 66.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.245 1.018 . . . . 0.0 111.031 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -56.77 -33.59 66.77 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.204 1.402 . . . . 0.0 112.679 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -57.83 -47.91 81.29 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.659 1.184 . . . . 0.0 111.551 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.57 109.04 3.61 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.34 -60.87 1.45 Allowed 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -148.67 -98.87 0.08 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -122.25 132.83 54.62 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -28.04 16.52 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.3 p -64.25 -21.25 66.52 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 112.847 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.69 -47.97 81.32 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.111 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -83.73 -30.66 26.52 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.608 1.163 . . . . 0.0 110.374 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -72.39 -28.22 62.86 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.577 1.151 . . . . 0.0 110.931 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.79 72.41 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.786 0.834 . . . . 0.0 110.268 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.19 -39.34 71.86 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 124.695 1.198 . . . . 0.0 110.456 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.73 68.44 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.622 1.169 . . . . 0.0 111.347 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.51 -37.34 71.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 124.121 0.968 . . . . 0.0 110.412 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -70.41 -38.21 74.57 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.842 0.857 . . . . 0.0 109.924 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.26 74.69 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.409 1.083 . . . . 0.0 111.459 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -71.48 -48.2 50.63 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 124.088 0.955 . . . . 0.0 109.376 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.56 -38.58 89.98 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.823 1.249 . . . . 0.0 110.948 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.35 -47.54 76.09 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.17 1.388 . . . . 0.0 109.411 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -60.39 -46.89 88.35 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.265 1.426 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.81 -45.39 92.5 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.305 1.842 . . . . 0.0 110.855 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -76.19 -39.88 53.69 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.236 1.015 . . . . 0.0 110.867 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.81 64.14 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 123.995 0.918 . . . . 0.0 113.036 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 m -71.05 -23.32 23.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-N 119.107 0.867 . . . . 0.0 111.27 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -69.27 -42.03 76.09 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.969 0.908 . . . . 0.0 109.378 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.31 -35.82 54.55 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.538 1.135 . . . . 0.0 110.53 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.89 -46.48 71.53 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.174 1.79 . . . . 0.0 110.371 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 N--CA 1.444 -0.734 0 C-N-CA 123.198 0.599 . . . . 0.0 111.071 -175.313 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 N--CA 1.449 -1.095 0 N-CA-C 108.943 -1.214 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.38 169.49 17.57 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.004 -2.961 . . . . 0.0 103.004 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -91.58 172.43 8.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.21 72.01 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.429 1.092 . . . . 0.0 109.906 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -70.02 -39.58 75.72 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.95 1.3 . . . . 0.0 109.648 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.4 tpp -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 111.82 -171.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.3 mt -67.35 -34.6 77.66 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.585 1.154 . . . . 0.0 111.262 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -72.67 -35.46 67.71 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.573 0.749 . . . . 0.0 110.215 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.22 -34.91 78.47 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.517 0.727 . . . . 0.0 111.18 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -76.77 -31.92 57.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 123.75 0.82 . . . . 0.0 110.957 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 p -79.8 -37.2 35.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.847 0.459 . . . . 0.0 110.428 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.57 14.77 14.03 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.734 0.814 . . . . 0.0 111.131 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -69.05 -40.83 78.31 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.552 1.141 . . . . 0.0 112.369 -168.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.8 -37.44 73.26 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.651 0.781 . . . . 0.0 110.738 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 m -66.85 -41.66 87.01 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.908 1.283 . . . . 0.0 111.506 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.53 -38.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.531 1.133 . . . . 0.0 109.089 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.06 -19.98 61.07 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -76.09 -45.97 31.32 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 118.937 0.789 . . . . 0.0 109.694 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -92.08 23.71 3.64 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.922 0.489 . . . . 0.0 111.7 -171.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -143.36 153.92 59.86 Favored Pre-proline 0 N--CA 1.441 -0.91 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 172.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -86.14 69.31 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.87 2.38 . . . . 0.0 111.532 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 70.37 1.27 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.8 tt -98.97 144.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 124.211 1.004 . . . . 0.0 109.063 -166.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -104.64 170.69 7.74 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.28 -35.44 74.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 C-N-CA 125.016 1.327 . . . . 0.0 114.354 -164.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.4 p -74.39 -27.34 60.6 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 109.954 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.2 -23.44 26.47 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.079 1.352 . . . . 0.0 109.805 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.7 t -71.52 -26.83 26.99 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 C-N-CA 125.22 1.408 . . . . 0.0 108.904 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.08 63.07 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.49 -0.756 . . . . 0.0 111.988 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -77.86 -57.21 3.92 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.717 1.207 . . . . 0.0 109.35 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -73.84 -35.61 64.83 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.715 1.206 . . . . 0.0 110.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.75 -11.21 84.22 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.903 0.763 . . . . 0.0 111.456 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 -26.22 62.62 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.99 -45.81 47.65 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.89 1.276 . . . . 0.0 109.562 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.28 -21.93 49.02 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 111.007 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -75.48 -38.24 59.69 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.982 1.313 . . . . 0.0 109.206 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -68.46 -46.72 69.03 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.689 0.796 . . . . 0.0 110.377 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.87 92.95 4.26 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -132.0 -150.63 0.43 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -87.74 -106.54 0.07 Allowed 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -115.95 158.24 23.34 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -88.92 -27.96 20.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.96 -25.48 65.24 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.74 2.416 . . . . 0.0 113.879 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.35 -43.49 96.43 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 126.225 1.81 . . . . 0.0 110.502 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -90.81 -31.51 16.46 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 124.942 1.297 . . . . 0.0 109.934 -172.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.59 -39.63 88.49 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.344 1.058 . . . . 0.0 111.276 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.99 80.1 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.986 0.914 . . . . 0.0 110.816 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -73.21 -35.53 66.34 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.229 1.012 . . . . 0.0 110.3 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.95 72.02 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.86 1.264 . . . . 0.0 111.431 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.22 -38.87 68.87 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.452 1.101 . . . . 0.0 110.721 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.72 -27.44 58.17 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.618 0.767 . . . . 0.0 110.599 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.42 62.83 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 123.991 0.916 . . . . 0.0 110.401 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.09 -35.51 59.33 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.575 1.15 . . . . 0.0 109.882 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 125.2 1.4 . . . . 0.0 109.587 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.41 -50.16 72.64 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.516 1.526 . . . . 0.0 109.782 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.59 -53.07 62.37 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.99 1.716 . . . . 0.0 111.292 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -60.43 -45.22 94.42 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.58 1.152 . . . . 0.0 111.195 -171.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -75.17 -36.46 61.49 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.285 0.634 . . . . 0.0 111.146 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.46 -30.15 62.99 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.108 0.963 . . . . 0.0 113.418 -172.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.38 -13.43 15.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 CA-C-N 118.75 0.705 . . . . 0.0 112.84 -173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.04 -36.47 64.4 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.46 -30.44 33.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.477 1.111 . . . . 0.0 110.088 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -71.74 -52.27 18.57 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.495 1.518 . . . . 0.0 108.659 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.355 0.813 0 C-N-CA 124.165 0.986 . . . . 0.0 110.037 -177.749 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo . . . . . 0 CA--C 1.51 -0.686 0 CA-C-O 117.813 -0.994 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.58 107.57 5.93 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.465 1.03 . . . . 0.0 110.54 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p -156.91 100.93 1.92 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 103.412 -2.811 . . . . 0.0 103.412 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.75 56.2 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.795 0.838 . . . . 0.0 111.409 -169.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -69.55 -38.19 77.37 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.269 1.427 . . . . 0.0 110.026 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -26.03 63.01 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.282 -176.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.85 -39.84 72.7 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.76 0.824 . . . . 0.0 110.5 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -72.79 -31.9 65.19 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.487 1.115 . . . . 0.0 110.164 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -46.43 86.7 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.797 1.239 . . . . 0.0 110.943 -171.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -74.03 -24.61 59.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.177 0.591 . . . . 0.0 111.97 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -78.83 -45.91 19.83 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.033 0.933 . . . . 0.0 109.36 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.41 2.22 37.61 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.222 1.009 . . . . 0.0 111.509 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -63.57 -34.85 78.73 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.595 1.558 . . . . 0.0 112.533 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -75.11 -29.86 60.7 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.636 0.774 . . . . 0.0 112.214 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.5 p -77.77 -33.62 52.65 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.34 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 126.332 1.853 . . . . 0.0 110.999 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.85 -31.1 70.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.119 0.967 . . . . 0.0 111.84 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -87.35 -34.9 18.66 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 109.862 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.63 -56.87 5.47 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.844 1.258 . . . . 0.0 110.136 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.39 137.76 22.0 Favored Pre-proline 0 N--CA 1.442 -0.826 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -84.19 75.52 3.9 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.046 2.498 . . . . 0.0 111.427 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.13 63.01 2.62 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.4 tt -87.8 153.34 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -80.72 152.65 28.27 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.6 -21.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 124.233 1.013 . . . . 0.0 113.155 -166.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 p -79.97 -28.79 39.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 123.919 0.887 . . . . 0.0 109.798 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.6 -8.28 58.95 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 110.839 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.29 -34.07 56.97 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 C-N-CA 124.638 1.175 . . . . 0.0 108.568 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.35 79.23 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.734 0.814 . . . . 0.0 111.171 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.71 -52.31 57.79 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.946 1.298 . . . . 0.0 111.309 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.58 -16.67 47.61 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.617 0.767 . . . . 0.0 111.114 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.86 -14.73 80.47 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 123.813 0.72 . . . . 0.0 112.057 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.04 63.34 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -74.96 -36.8 62.07 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.486 1.114 . . . . 0.0 109.385 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.58 -22.78 46.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.621 1.169 . . . . 0.0 110.926 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -75.75 -38.73 58.14 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.146 0.979 . . . . 0.0 108.664 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -65.45 -55.26 18.95 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.252 1.021 . . . . 0.0 110.134 -174.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.55 86.1 2.35 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.8 ttm -116.02 -142.82 0.38 Allowed 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -104.67 -99.85 0.32 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 173.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -107.94 140.52 40.95 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -94.81 -20.35 19.54 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 171.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.9 m -60.07 -30.38 69.18 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.169 2.188 . . . . 0.0 113.588 -171.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.97 -46.75 73.69 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.872 1.269 . . . . 0.0 109.396 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -72.41 -34.5 67.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.815 1.246 . . . . 0.0 111.396 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.38 -36.66 68.76 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.496 1.118 . . . . 0.0 110.824 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.39 -30.03 61.79 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.04 0.936 . . . . 0.0 110.757 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -77.31 -29.02 53.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.401 1.081 . . . . 0.0 110.016 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.51 61.02 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.237 1.015 . . . . 0.0 110.055 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.01 -31.71 68.3 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.187 0.995 . . . . 0.0 110.928 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -66.89 -37.18 83.9 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.453 1.101 . . . . 0.0 110.472 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -16.78 63.12 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.146 0.978 . . . . 0.0 112.344 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -75.61 -40.37 56.49 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 124.171 0.988 . . . . 0.0 108.769 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -69.05 -41.92 76.98 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.027 0.931 . . . . 0.0 109.496 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.56 -31.33 72.31 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.352 1.061 . . . . 0.0 111.504 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -64.96 -39.18 93.1 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 110.112 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.24 -35.5 78.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.571 1.148 . . . . 0.0 110.835 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -83.58 -24.94 31.3 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.893 0.477 . . . . 0.0 110.429 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.68 59.51 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.403 1.081 . . . . 0.0 111.656 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.8 m -73.79 -14.95 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 C-N-CA 122.907 0.483 . . . . 0.0 111.608 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -69.12 -47.06 66.1 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.866 0.866 . . . . 0.0 109.174 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -73.58 -29.69 62.55 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.558 1.143 . . . . 0.0 110.952 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.74 -50.73 63.72 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.578 1.551 . . . . 0.0 109.813 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.444 -0.74 0 C-N-CA 123.178 0.591 . . . . 0.0 111.623 -174.855 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo . . . . . 0 N--CA 1.45 -1.043 0 N-CA-C 109.167 -1.128 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.56 -173.18 3.35 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.697 -2.335 . . . . 0.0 104.697 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -125.02 170.51 11.08 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.96 69.09 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.828 1.251 . . . . 0.0 110.612 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -71.01 -33.17 70.11 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.675 1.19 . . . . 0.0 109.678 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -39.32 78.38 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.681 1.192 . . . . 0.0 111.013 -173.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -68.51 -39.95 81.04 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.19 1.396 . . . . 0.0 110.572 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -70.13 -34.81 73.53 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.127 0.971 . . . . 0.0 110.966 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.09 -37.85 86.79 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.371 0.668 . . . . 0.0 111.221 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.18 -27.53 53.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 123.479 0.712 . . . . 0.0 110.321 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -77.17 -58.28 3.37 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.102 0.961 . . . . 0.0 109.135 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.37 53.09 1.14 Allowed 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.302 1.041 . . . . 0.0 108.841 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -93.18 -44.33 8.4 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -74.2 -28.52 61.31 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.528 1.531 . . . . 0.0 110.619 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 p -73.77 -32.49 63.83 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.945 0.898 . . . . 0.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.89 -45.23 77.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.309 1.044 . . . . 0.0 109.077 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -74.15 -14.72 61.0 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -74.61 -48.51 26.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.555 0.742 . . . . 0.0 109.208 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -95.51 26.88 3.65 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.359 0.664 . . . . 0.0 111.011 -172.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.74 152.19 78.39 Favored Pre-proline 0 N--CA 1.443 -0.788 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 171.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -86.42 61.08 4.6 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.368 2.712 . . . . 0.0 111.046 -172.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 65.27 1.64 Allowed Glycine 0 C--N 1.351 1.414 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 tt -87.29 148.55 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -87.64 162.78 16.93 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 m -71.97 -26.17 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 C-N-CA 124.37 1.068 . . . . 0.0 112.578 -167.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.9 m -78.66 -31.34 46.72 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.194 0.997 . . . . 0.0 108.776 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -80.23 -4.67 54.13 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.706 1.202 . . . . 0.0 111.794 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.43 -30.15 38.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 124.345 1.058 . . . . 0.0 108.551 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.46 -11.27 59.83 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.888 0.875 . . . . 0.0 111.86 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -92.68 -55.25 3.45 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -75.43 -27.25 58.89 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.381 0.672 . . . . 0.0 110.946 -170.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.66 -4.17 87.58 Favored Glycine 0 C--N 1.352 1.463 0 C-N-CA 123.632 0.634 . . . . 0.0 112.023 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.46 -25.76 60.5 Favored Glycine 0 C--N 1.355 1.597 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -72.45 -43.52 63.66 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.161 1.385 . . . . 0.0 108.757 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -79.64 -19.87 48.12 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.399 1.48 . . . . 0.0 111.358 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -79.81 -40.97 27.43 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.491 1.117 . . . . 0.0 109.024 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -70.18 -47.77 60.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.307 0.643 . . . . 0.0 109.728 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.73 82.65 2.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -123.22 -149.13 0.42 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.41 -111.26 0.18 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.07 153.04 20.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -109.51 1.83 20.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.6 p -68.23 -30.47 69.53 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.83 1.652 . . . . 0.0 112.473 -171.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.93 -41.88 81.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.089 1.356 . . . . 0.0 110.435 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -85.73 -34.19 21.29 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 124.181 0.992 . . . . 0.0 110.645 -168.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -76.83 -26.75 54.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 122.784 0.434 . . . . 0.0 111.036 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.08 -32.01 50.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.926 0.89 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.04 -40.28 62.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.164 1.386 . . . . 0.0 109.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.53 69.09 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.873 1.269 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.58 -26.98 61.91 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.705 1.202 . . . . 0.0 111.505 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -70.65 -43.91 68.19 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.73 -20.48 62.64 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.131 0.972 . . . . 0.0 111.649 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -76.01 -43.03 46.17 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.093 1.357 . . . . 0.0 109.698 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.96 -47.29 46.72 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.615 1.166 . . . . 0.0 109.085 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.515 1.126 . . . . 0.0 111.739 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.71 -58.54 3.55 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.63 -38.43 87.64 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.511 1.524 . . . . 0.0 111.529 -172.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -70.24 -46.88 63.54 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.433 1.093 . . . . 0.0 110.581 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.9 -33.29 62.01 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 123.282 0.633 . . . . 0.0 112.606 -171.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 m -69.03 -26.5 32.42 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 119.163 0.892 . . . . 0.0 111.141 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -69.38 -42.43 75.18 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.747 0.819 . . . . 0.0 109.603 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.06 -33.28 51.0 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.884 1.273 . . . . 0.0 110.603 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.01 -49.29 62.46 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.103 1.761 . . . . 0.0 109.814 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 N--CA 1.443 -0.795 0 C-N-CA 123.68 0.792 . . . . 0.0 111.392 -174.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 109.81 -0.881 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp 55.75 91.33 0.03 OUTLIER 'General case' 0 C--N 1.357 0.934 0 C-N-CA 127.361 2.265 . . . . 0.0 112.599 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -88.8 153.97 20.65 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.81 74.0 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.439 1.095 . . . . 0.0 110.953 -174.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.89 -36.99 75.88 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.024 1.33 . . . . 0.0 109.775 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 tpp -69.56 -33.85 73.35 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.272 1.029 . . . . 0.0 111.231 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.2 -31.96 64.5 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.133 0.973 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -73.4 -33.69 65.13 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.677 0.791 . . . . 0.0 110.117 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.7 -41.27 98.13 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -74.83 -24.16 58.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 118.798 0.726 . . . . 0.0 111.691 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -76.91 -46.77 23.13 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.346 1.058 . . . . 0.0 108.742 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.74 58.4 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.319 1.047 . . . . 0.0 112.142 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -50.41 -48.57 56.03 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.372 2.269 . . . . 0.0 113.121 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.43 -35.58 75.83 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.612 1.165 . . . . 0.0 111.195 -169.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.0 m -72.3 -38.37 68.76 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.438 1.095 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.14 -36.7 74.47 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 125.078 1.351 . . . . 0.0 109.915 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -80.47 -4.75 54.98 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -83.1 -36.46 24.82 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.34 -53.64 6.15 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.27 1.028 . . . . 0.0 109.665 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -87.59 143.0 33.27 Favored Pre-proline 0 N--CA 1.443 -0.775 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 -175.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -81.13 86.69 1.58 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.013 2.475 . . . . 0.0 112.455 -162.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 50.61 37.77 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 tt -85.23 142.39 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 123.884 0.874 . . . . 0.0 109.055 -169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -93.66 161.69 14.24 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.23 -21.74 26.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -166.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 p -73.16 -30.11 63.34 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.856 1.262 . . . . 0.0 110.035 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -94.19 -17.29 22.87 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 125.469 1.508 . . . . 0.0 109.354 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -73.43 -24.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 124.82 1.248 . . . . 0.0 108.246 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.58 68.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.433 -0.792 . . . . 0.0 111.6 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -71.62 -52.4 18.19 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.016 0.926 . . . . 0.0 109.803 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -75.92 -36.77 59.28 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.048 0.939 . . . . 0.0 110.536 -172.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.81 -7.26 87.55 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 124.393 0.997 . . . . 0.0 111.951 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.43 -27.56 59.26 Favored Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.83 -37.15 41.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.279 1.432 . . . . 0.0 108.985 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.86 -29.48 58.55 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.722 1.209 . . . . 0.0 111.188 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -72.96 -36.48 67.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.928 1.291 . . . . 0.0 109.71 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 -66.51 -48.2 70.52 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.463 1.105 . . . . 0.0 110.528 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.85 81.99 1.55 Allowed 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -113.84 -137.91 0.37 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -114.02 -120.93 0.3 Allowed 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 104.041 -2.577 . . . . 0.0 104.041 173.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -90.61 153.16 20.53 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -106.4 -2.71 21.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -63.02 -33.18 74.88 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.067 2.147 . . . . 0.0 111.48 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.86 -45.67 92.77 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.435 1.494 . . . . 0.0 111.072 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -82.82 -29.83 29.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.308 1.043 . . . . 0.0 111.093 -170.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.77 -33.84 62.35 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.777 0.831 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.81 -26.19 59.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.199 1.0 . . . . 0.0 110.765 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -75.7 -35.28 60.35 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.975 0.91 . . . . 0.0 109.049 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.89 4.67 24.65 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.79 1.236 . . . . 0.0 111.602 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.8 48.77 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.645 0.778 . . . . 0.0 109.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -77.77 -18.13 56.77 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.129 0.972 . . . . 0.0 110.502 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.2 45.83 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 123.111 0.564 . . . . 0.0 109.9 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.6 -39.9 57.24 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.07 1.348 . . . . 0.0 108.153 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.12 -42.11 89.61 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.378 1.471 . . . . 0.0 109.944 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.16 -23.35 59.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.463 1.105 . . . . 0.0 111.155 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.93 -40.81 94.61 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.14 -46.87 87.23 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.639 1.576 . . . . 0.0 110.711 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -79.39 -30.52 42.52 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.494 0.718 . . . . 0.0 110.697 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.1 67.9 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.025 1.33 . . . . 0.0 111.826 -175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.31 -19.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 C-N-CA 122.773 0.429 . . . . 0.0 111.881 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -74.13 -34.16 63.8 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.726 0.81 . . . . 0.0 110.099 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -82.27 -31.25 30.18 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.851 0.86 . . . . 0.0 110.218 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -69.64 -52.12 28.75 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.599 1.56 . . . . 0.0 110.118 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 110.817 -174.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 CA-C-O 119.158 -0.434 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.4 139.91 17.83 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -171.83 127.34 0.61 Allowed 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.16 -37.98 25.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 123.197 0.599 . . . . 0.0 110.302 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.02 -39.36 83.16 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.441 1.496 . . . . 0.0 110.488 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 tpp -73.28 -28.96 62.41 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 123.029 0.532 . . . . 0.0 111.739 -169.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.99 -32.59 65.26 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.278 1.031 . . . . 0.0 110.53 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -72.02 -31.16 65.93 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.492 1.117 . . . . 0.0 110.302 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.91 -26.92 64.39 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.536 0.734 . . . . 0.0 111.406 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -77.18 -29.81 54.59 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.498 0.719 . . . . 0.0 109.95 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.4 t -75.03 -45.23 43.08 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.294 1.037 . . . . 0.0 109.371 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.85 8.39 23.11 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.127 0.971 . . . . 0.0 111.686 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -66.76 -39.62 87.95 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.844 1.258 . . . . 0.0 111.757 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -65.64 -48.06 73.48 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.011 1.324 . . . . 0.0 110.16 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -66.99 -43.23 83.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.727 1.211 . . . . 0.0 112.237 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.3 -32.78 59.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 125.091 1.356 . . . . 0.0 110.967 -174.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -63.98 -42.57 97.2 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.133 0.973 . . . . 0.0 112.258 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.5 -31.38 24.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 C-N-CA 122.285 0.234 . . . . 0.0 111.14 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.62 -54.62 9.81 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.726 0.811 . . . . 0.0 110.684 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.86 137.6 33.44 Favored Pre-proline 0 C--N 1.353 0.726 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.78 91.25 1.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.171 2.58 . . . . 0.0 112.201 -163.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.27 50.2 13.15 Favored Glycine 0 C--N 1.354 1.558 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 tt -84.65 144.67 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -88.44 157.57 18.63 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -72.9 -19.99 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 C-N-CA 124.668 1.187 . . . . 0.0 112.667 -168.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.2 p -78.54 -30.25 46.87 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.173 0.989 . . . . 0.0 109.769 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.4 -4.27 59.11 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.572 1.149 . . . . 0.0 111.03 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.76 -27.59 28.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 125.088 1.355 . . . . 0.0 108.452 173.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -13.38 60.07 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.734 0.813 . . . . 0.0 111.9 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -86.12 -58.04 2.79 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -71.06 -31.08 67.39 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.758 1.223 . . . . 0.0 111.776 -169.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.85 -7.03 87.84 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.48 -25.27 57.2 Favored Glycine 0 C--N 1.355 1.587 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.04 -37.67 66.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.37 1.468 . . . . 0.0 108.945 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.16 -28.83 31.91 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.046 1.338 . . . . 0.0 111.12 -176.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.02 -34.07 68.54 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.672 1.189 . . . . 0.0 109.997 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -45.44 78.27 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.881 0.873 . . . . 0.0 110.022 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.03 73.35 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -117.59 -139.97 0.36 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -117.21 -124.09 0.29 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -91.95 160.55 15.21 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.775 0.83 . . . . 0.0 108.91 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -3.6 49.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.05 0.94 . . . . 0.0 108.481 174.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 t -63.38 -30.79 71.86 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 126.497 1.919 . . . . 0.0 112.16 -170.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.9 -44.06 90.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.284 1.033 . . . . 0.0 110.712 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.69 -31.35 22.52 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.785 0.834 . . . . 0.0 111.997 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -79.21 -25.02 42.73 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.542 0.61 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.04 -29.91 55.42 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 123.819 0.848 . . . . 0.0 109.847 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -77.08 -26.3 53.29 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.201 1.001 . . . . 0.0 109.761 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.79 -6.94 57.25 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.536 1.134 . . . . 0.0 111.413 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.33 -20.95 54.16 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.874 0.869 . . . . 0.0 110.314 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -70.41 -35.96 73.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.482 1.113 . . . . 0.0 108.791 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.88 63.63 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.565 1.146 . . . . 0.0 112.301 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.329 1.051 . . . . 0.0 109.863 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.69 -28.65 60.91 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.872 1.269 . . . . 0.0 109.512 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.69 -37.49 67.85 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 109.625 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -64.38 -34.83 79.08 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 126.603 1.961 . . . . 0.0 110.761 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.34 -39.54 83.5 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.599 1.56 . . . . 0.0 111.138 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -83.48 -36.07 24.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -32.03 72.23 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 112.96 -172.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.04 -22.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 O-C-N 121.96 -0.462 . . . . 0.0 111.59 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -74.0 -32.88 63.59 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 121.644 -0.66 . . . . 0.0 110.078 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.86 -39.09 64.21 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.288 1.035 . . . . 0.0 109.88 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -65.97 -48.8 70.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.966 1.706 . . . . 0.0 110.473 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 C--N 1.353 0.724 0 C-N-CA 122.994 0.518 . . . . 0.0 111.221 -173.259 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.45 -1.043 0 N-CA-C 108.663 -1.322 . . . . 0.0 108.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 mt -139.37 158.74 43.62 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 t -115.54 160.06 20.44 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.06 72.65 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.651 1.18 . . . . 0.0 110.696 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.01 -40.51 78.64 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.764 1.226 . . . . 0.0 109.682 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.7 mmm -78.03 -21.71 50.31 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 122.909 0.484 . . . . 0.0 112.1 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 mt -76.79 -34.07 58.0 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.565 0.746 . . . . 0.0 110.324 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -73.68 -28.17 61.61 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 123.635 0.774 . . . . 0.0 109.628 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.744 1.218 . . . . 0.0 111.35 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -76.09 -29.29 57.88 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.32 0.648 . . . . 0.0 112.12 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -78.77 -36.7 42.59 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 122.844 0.457 . . . . 0.0 109.792 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.03 14.51 17.54 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.805 0.842 . . . . 0.0 110.736 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -77.69 -37.64 49.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.254 -0.904 . . . . 0.0 109.438 -175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.46 -30.85 67.78 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.723 1.209 . . . . 0.0 112.04 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -75.16 -47.27 29.26 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 122.877 0.471 . . . . 0.0 110.011 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.73 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.187 1.395 . . . . 0.0 110.931 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -18.9 60.58 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -93.18 -35.25 13.25 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.677 0.671 . . . . 0.0 109.926 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.08 -46.88 61.0 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.661 0.784 . . . . 0.0 110.447 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -88.67 141.75 30.33 Favored Pre-proline 0 C--N 1.352 0.706 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.14 80.73 2.54 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.968 2.445 . . . . 0.0 111.637 -165.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.37 56.97 4.87 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 175.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 tt -80.87 148.26 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -81.58 154.73 26.05 Favored 'General case' 0 CA--C 1.501 -0.924 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.09 -28.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 125.125 1.37 . . . . 0.0 111.641 -168.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -71.35 -32.68 68.81 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.806 1.243 . . . . 0.0 110.447 175.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -86.14 -2.57 58.47 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.056 0.942 . . . . 0.0 111.114 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -76.34 -34.26 25.01 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.84 -16.42 60.07 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.036 0.934 . . . . 0.0 111.21 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -83.19 -47.98 11.0 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -41.14 63.47 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.348 1.459 . . . . 0.0 110.711 -170.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.7 -0.21 79.53 Favored Glycine 0 C--N 1.353 1.504 0 C-N-CA 124.159 0.885 . . . . 0.0 113.44 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.34 -25.78 67.5 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -75.29 -36.03 61.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 110.147 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.57 -27.62 51.49 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.1 0.96 . . . . 0.0 110.438 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -74.76 -27.58 60.4 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.315 1.046 . . . . 0.0 110.795 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -67.94 -43.73 78.44 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.891 0.876 . . . . 0.0 110.048 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 23.93 4.73 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.802 0.841 . . . . 0.0 110.843 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -52.33 5.76 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 82.89 -71.79 0.04 OUTLIER 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.519 1.928 . . . . 0.0 111.961 170.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.68 77.35 7.92 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -94.51 6.12 49.76 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.413 1.485 . . . . 0.0 110.42 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -62.27 -26.2 68.27 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.66 1.984 . . . . 0.0 113.42 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.33 -48.0 81.75 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.078 1.351 . . . . 0.0 110.63 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -82.31 -30.1 30.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.206 1.002 . . . . 0.0 110.549 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.38 -34.34 70.32 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.418 1.087 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.33 73.01 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.967 0.907 . . . . 0.0 110.552 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.72 -40.45 69.46 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.316 1.046 . . . . 0.0 110.144 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.61 75.45 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 125.303 1.441 . . . . 0.0 111.683 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.56 73.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 124.454 1.102 . . . . 0.0 110.542 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.38 -36.87 79.79 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.761 0.824 . . . . 0.0 110.522 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.51 70.58 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.295 1.038 . . . . 0.0 112.079 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -74.33 -47.28 35.44 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.026 0.931 . . . . 0.0 110.129 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -70.62 -39.91 73.46 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 123.669 0.788 . . . . 0.0 111.366 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -69.89 -30.58 68.05 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.693 0.797 . . . . 0.0 110.554 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -69.15 -54.34 15.42 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.586 0.755 . . . . 0.0 109.465 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.12 -44.73 83.57 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.2 1.8 . . . . 0.0 111.969 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -75.15 -43.33 53.04 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 123.295 0.638 . . . . 0.0 110.653 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.83 62.79 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -170.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.79 -23.8 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.349 0.977 . . . . 0.0 111.509 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.35 -31.98 60.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.331 0.652 . . . . 0.0 109.862 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.41 -35.93 39.88 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.639 1.176 . . . . 0.0 109.859 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -67.44 -53.36 29.64 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 126.616 1.966 . . . . 0.0 109.897 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 C--N 1.354 0.771 0 C-N-CA 124.264 1.026 . . . . 0.0 111.528 -174.245 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.452 -0.937 0 CA-C-O 119.125 -0.448 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.77 132.07 13.68 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 168.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 t -165.43 122.81 1.51 Allowed 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 101.51 -3.515 . . . . 0.0 101.51 171.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -31.14 32.67 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 123.42 0.688 . . . . 0.0 110.601 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -68.99 -40.88 78.48 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.145 1.378 . . . . 0.0 109.615 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 tpp -68.07 -32.14 72.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.201 1.001 . . . . 0.0 112.203 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.04 -31.98 63.13 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.219 1.008 . . . . 0.0 110.859 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -72.91 -32.62 65.46 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.967 0.907 . . . . 0.0 110.277 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.1 mt -66.27 -40.14 89.9 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 123.658 0.783 . . . . 0.0 112.489 -175.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -76.94 -24.55 52.4 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.387 0.54 . . . . 0.0 111.138 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.8 t -77.64 -52.49 8.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.875 0.87 . . . . 0.0 108.929 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 28.37 1.91 Allowed 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.061 0.944 . . . . 0.0 110.625 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -73.48 -29.25 62.4 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.912 0.885 . . . . 0.0 110.106 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.2 -23.83 62.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.051 1.34 . . . . 0.0 111.608 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 m -79.15 -48.08 14.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.592 0.757 . . . . 0.0 109.053 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.37 -36.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 C-N-CA 126.301 1.841 . . . . 0.0 111.141 -171.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -75.51 -13.62 60.37 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -91.25 -35.2 14.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.01 -50.88 13.6 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.489 1.116 . . . . 0.0 109.696 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -96.33 147.74 33.41 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -83.88 76.59 3.63 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.922 2.415 . . . . 0.0 111.764 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.22 60.52 4.4 Favored Glycine 0 C--N 1.356 1.691 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 tt -92.91 144.74 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -99.72 167.73 10.37 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.2 m -67.67 -27.13 37.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 124.753 1.221 . . . . 0.0 113.547 -167.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 p -75.61 -28.03 58.7 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.468 1.107 . . . . 0.0 109.919 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -88.53 -21.45 24.11 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.0 1.32 . . . . 0.0 109.965 -176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.42 -25.8 21.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 124.789 1.235 . . . . 0.0 109.101 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.79 65.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.844 0.857 . . . . 0.0 111.61 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -87.21 52.33 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.339 1.056 . . . . 0.0 109.294 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 57.78 46.07 17.68 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.233 2.213 . . . . 0.0 112.417 172.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.14 -25.14 20.38 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.33 -62.55 2.06 Favored Glycine 0 C--N 1.355 1.605 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.372 11.3 pt-20 66.01 -27.45 0.11 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 129.632 3.173 . . . . 0.0 116.57 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.0 mt -75.07 -8.38 56.39 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 125.902 1.681 . . . . 0.0 111.024 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -70.79 -34.74 72.09 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.665 1.586 . . . . 0.0 110.374 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.607 0.763 . . . . 0.0 110.438 -167.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.58 87.72 2.78 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 170.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.7 tmm? -106.52 -92.91 0.39 Allowed 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -145.53 -91.51 0.1 Allowed 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 102.875 -3.009 . . . . 0.0 102.875 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -128.36 179.81 5.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.32 -2.02 16.92 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.6 m -60.65 -33.35 72.68 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.627 1.971 . . . . 0.0 113.259 -168.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.83 -45.24 86.98 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.366 1.466 . . . . 0.0 111.083 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -82.29 -28.86 31.5 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 124.354 1.062 . . . . 0.0 110.643 -170.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -73.51 -28.78 62.09 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.275 1.03 . . . . 0.0 110.273 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.07 59.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.193 0.997 . . . . 0.0 110.867 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.96 -25.35 52.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.49 0.716 . . . . 0.0 110.365 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.29 59.94 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.986 0.915 . . . . 0.0 111.151 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.22 57.15 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.939 0.896 . . . . 0.0 109.873 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -71.95 -29.16 63.99 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.91 0.884 . . . . 0.0 110.604 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.32 60.64 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.02 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.434 ' HB2' ' HZ3' ' A' ' 60' ' ' LYS . 4.0 ttmp? -84.47 -30.97 24.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.722 1.209 . . . . 0.0 109.229 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -74.15 -36.6 64.13 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.88 0.872 . . . . 0.0 109.088 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -75.88 -21.28 57.33 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.264 1.026 . . . . 0.0 110.216 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -68.02 -42.15 81.07 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.309 1.044 . . . . 0.0 109.205 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.8 -35.68 81.37 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 124.83 1.252 . . . . 0.0 110.415 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -71.43 -45.91 61.43 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.088 0.955 . . . . 0.0 110.126 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.68 91.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 125.049 1.34 . . . . 0.0 112.932 -172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.97 -14.88 16.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 122.923 0.489 . . . . 0.0 111.677 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.58 -47.41 40.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.523 0.729 . . . . 0.0 109.612 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.23 -24.0 54.59 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.597 0.759 . . . . 0.0 110.851 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -67.83 -47.46 68.94 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.422 1.489 . . . . 0.0 110.146 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.444 -0.746 0 C-N-CA 123.087 0.555 . . . . 0.0 110.821 -176.424 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo . . . . . 0 N--CA 1.448 -1.186 0 N-CA-C 108.137 -1.524 . . . . 0.0 108.137 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -142.91 174.81 10.34 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 p -103.71 168.29 9.24 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.63 -31.79 62.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 124.118 0.967 . . . . 0.0 110.0 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.14 -41.28 77.51 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.158 1.383 . . . . 0.0 109.717 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 tpp -66.26 -32.89 74.58 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.673 1.189 . . . . 0.0 111.921 -173.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.87 -30.34 66.69 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.779 1.232 . . . . 0.0 111.754 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -77.96 -27.34 49.22 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 123.198 0.599 . . . . 0.0 110.412 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.4 -34.58 77.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 123.294 0.638 . . . . 0.0 112.095 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -82.41 -22.84 35.16 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.09 0.404 . . . . 0.0 111.909 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -83.06 -39.54 21.05 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.492 0.587 . . . . 0.0 109.828 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.24 8.31 33.81 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.871 0.868 . . . . 0.0 111.088 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.51 -43.89 96.58 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.23 1.812 . . . . 0.0 112.236 -171.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.16 -23.64 63.02 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.831 0.852 . . . . 0.0 112.915 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -77.32 -47.49 19.86 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.19 -37.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 125.958 1.703 . . . . 0.0 111.552 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -70.82 -22.26 62.36 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -88.81 -43.88 10.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.18 -47.01 60.09 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 124.314 1.045 . . . . 0.0 110.595 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.31 139.73 22.12 Favored Pre-proline 0 N--CA 1.442 -0.838 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -82.65 88.1 1.29 Allowed 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.826 2.351 . . . . 0.0 112.879 -163.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 48.92 25.2 Favored Glycine 0 C--N 1.358 1.779 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 170.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.0 tt -86.59 140.06 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 125.001 1.32 . . . . 0.0 110.099 -164.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -93.19 162.97 13.8 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.71 -20.94 26.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 125.259 1.424 . . . . 0.0 114.116 -166.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.3 p -78.24 -24.16 47.08 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.483 1.113 . . . . 0.0 109.899 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.86 -25.16 17.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 125.394 1.478 . . . . 0.0 109.072 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.13 -27.16 31.33 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 125.253 1.421 . . . . 0.0 108.424 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.62 71.03 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.535 0.734 . . . . 0.0 111.508 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -81.94 -52.4 7.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.02 0.528 . . . . 0.0 110.72 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -74.71 -29.27 61.13 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 121.729 -0.607 . . . . 0.0 112.115 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.07 -11.63 82.19 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.22 -25.22 62.0 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.3 -40.41 64.55 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.377 1.071 . . . . 0.0 109.473 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.86 -29.92 56.06 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.261 1.025 . . . . 0.0 110.78 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -70.34 -37.49 74.67 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.156 0.582 . . . . 0.0 110.112 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -59.71 -54.98 40.01 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.861 1.264 . . . . 0.0 111.173 -172.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.85 110.42 17.18 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ptp -134.55 -154.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -88.99 -100.69 0.09 Allowed 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.23 138.54 50.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 10.92 26.16 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 124.471 1.108 . . . . 0.0 108.571 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -59.6 -29.51 68.02 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.509 1.924 . . . . 0.0 113.472 -172.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -64.97 -45.06 87.24 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.198 1.399 . . . . 0.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -83.1 -33.06 26.43 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 124.467 1.107 . . . . 0.0 110.305 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.67 -40.24 80.26 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 124.423 1.089 . . . . 0.0 110.586 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.09 -40.98 82.52 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.933 0.893 . . . . 0.0 111.055 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.01 -45.05 64.64 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.376 1.07 . . . . 0.0 110.41 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.06 89.86 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.035 1.334 . . . . 0.0 112.158 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.6 -36.77 68.2 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.756 0.822 . . . . 0.0 110.752 -175.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -73.6 -35.99 65.46 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.61 -25.7 65.89 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 123.934 0.894 . . . . 0.0 111.334 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -73.49 -46.13 49.83 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.54 0.736 . . . . 0.0 109.382 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.35 -41.54 93.76 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.027 0.931 . . . . 0.0 110.589 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.37 -46.91 87.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.16 1.784 . . . . 0.0 110.481 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -65.98 -53.64 36.37 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.568 1.147 . . . . 0.0 110.883 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.858 1.663 . . . . 0.0 111.827 -167.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -78.81 -34.57 45.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 123.364 0.665 . . . . 0.0 110.394 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.98 62.51 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.254 0.621 . . . . 0.0 112.651 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.3 m -74.6 -25.31 19.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 118.828 0.74 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -35.4 71.21 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.474 1.11 . . . . 0.0 109.767 175.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -90.38 2.89 55.13 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.398 0.679 . . . . 0.0 111.391 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -85.94 -72.92 0.47 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 CA--C 1.503 -0.848 0 C-N-CA 123.882 0.873 . . . . 0.0 109.93 -170.067 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -93.45 78.8 4.39 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.68 174.03 15.87 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 -175.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -150.02 139.41 13.15 Favored Pre-proline 0 N--CA 1.436 -1.144 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.91 164.55 31.51 Favored 'Trans proline' 0 CA--C 1.508 -0.814 0 C-N-CA 122.644 2.23 . . . . 0.0 110.457 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -103.17 153.5 20.28 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -83.5 155.11 66.01 Favored Pre-proline 0 N--CA 1.442 -0.874 0 C-N-CA 124.081 0.952 . . . . 0.0 109.016 -171.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -81.97 100.66 1.09 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.052 2.502 . . . . 0.0 110.761 -172.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.01 158.18 25.22 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -91.11 166.55 12.92 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.14 67.76 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.494 1.118 . . . . 0.0 111.079 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.73 -35.29 78.48 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.19 0.996 . . . . 0.0 109.265 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -69.23 -36.63 77.4 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.75 1.22 . . . . 0.0 111.708 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.4 -37.56 83.3 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.988 1.315 . . . . 0.0 110.805 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -71.51 -35.77 70.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.865 0.866 . . . . 0.0 110.449 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.47 -37.81 88.82 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.799 0.84 . . . . 0.0 111.326 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -74.69 -37.4 62.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.846 0.858 . . . . 0.0 111.006 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 p -78.19 -38.22 43.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.312 0.645 . . . . 0.0 111.059 -175.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.53 -3.16 58.27 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 123.784 0.833 . . . . 0.0 111.644 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -57.92 -39.43 77.96 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 114.1 -168.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.0 -43.79 94.6 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.193 1.397 . . . . 0.0 110.697 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 -34.81 74.38 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.216 1.007 . . . . 0.0 111.358 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.13 -41.05 58.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 124.252 1.021 . . . . 0.0 109.824 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -7.08 56.2 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -175.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -79.94 -52.58 7.68 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.73 -41.9 43.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.491 0.717 . . . . 0.0 110.428 -170.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -91.73 132.0 34.27 Favored Pre-proline 0 C--N 1.353 0.754 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -81.1 91.85 1.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.971 2.447 . . . . 0.0 112.63 -163.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.14 31.24 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.9 tt -85.19 142.88 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 C-N-CA 124.485 1.114 . . . . 0.0 109.227 -168.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.86 162.88 13.73 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.5 -29.31 47.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 125.507 1.523 . . . . 0.0 113.325 -168.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.9 p -72.28 -29.91 64.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.709 1.204 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -87.67 -21.86 25.02 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.239 1.416 . . . . 0.0 109.775 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.4 t -73.47 -27.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 C-N-CA 124.559 1.144 . . . . 0.0 108.678 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.69 67.58 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.724 0.81 . . . . 0.0 112.13 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -71.3 -57.47 4.44 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 125.176 1.39 . . . . 0.0 109.911 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -76.26 -33.16 59.15 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 123.867 0.867 . . . . 0.0 110.776 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.42 -9.12 86.87 Favored Glycine 0 C--N 1.351 1.366 0 C-N-CA 124.082 0.848 . . . . 0.0 112.021 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -21.91 74.43 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.14 -44.18 39.53 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.837 1.255 . . . . 0.0 109.068 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -74.29 -35.35 63.72 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.74 1.216 . . . . 0.0 111.133 -174.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -56.68 -32.78 65.76 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 126.076 1.751 . . . . 0.0 112.744 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -60.5 -55.44 33.46 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 111.986 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.39 110.69 6.32 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -75.49 0.5 Allowed 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 175.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -136.5 -123.54 0.15 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -95.48 137.7 34.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -90.52 -25.88 20.03 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -67.98 -22.17 65.02 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 111.807 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.936 1.295 . . . . 0.0 109.665 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -81.87 -29.25 32.57 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.03 0.932 . . . . 0.0 110.642 -172.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -67.41 -37.25 82.78 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.811 1.244 . . . . 0.0 110.459 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.79 79.33 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.066 0.946 . . . . 0.0 110.792 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.87 -29.87 61.16 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.826 0.85 . . . . 0.0 111.174 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.41 63.89 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.952 0.901 . . . . 0.0 110.504 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.41 -40.3 67.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.633 1.173 . . . . 0.0 110.314 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.78 -37.38 81.99 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.918 0.887 . . . . 0.0 110.654 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.12 62.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.152 0.981 . . . . 0.0 111.966 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -72.16 -51.18 22.48 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.48 1.112 . . . . 0.0 109.527 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.13 -32.34 59.08 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.744 1.218 . . . . 0.0 110.602 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.75 -43.1 85.03 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.443 1.097 . . . . 0.0 109.348 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.88 -51.64 67.37 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.589 1.156 . . . . 0.0 110.015 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.03 -44.52 91.77 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.263 1.425 . . . . 0.0 112.048 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -73.59 -42.95 60.88 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 110.94 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.66 55.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 m -71.0 -22.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 119.138 0.881 . . . . 0.0 111.043 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.17 -41.2 86.35 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.873 0.869 . . . . 0.0 109.673 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.52 -36.67 52.2 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.384 1.074 . . . . 0.0 110.614 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.32 -46.88 72.2 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.149 1.78 . . . . 0.0 110.657 -175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.32 -19.21 39.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 123.568 0.747 . . . . 0.0 111.017 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.52 -65.67 0.93 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -103.9 105.2 15.31 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.756 0 N-CA-C 105.978 -2.849 . . . . 0.0 105.978 -179.525 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 1 O4'-C1'-N19 111.062 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.983 0 P-O5'-C5' 117.493 -2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.526 0 P-O5'-C5' 116.755 -2.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 0 P-O5'-C5' 117.006 -2.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 P-O5'-C5' 115.638 -3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 O4'-C1'-N19 110.354 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.625 4.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 C4'-C3'-C2' 99.242 -3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 C5'-C4'-C3' 110.336 -2.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.907 0 P-O5'-C5' 117.157 -2.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.575 0 O5'-C5'-C4' 112.204 1.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-N19 110.106 2.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.498 0 O4'-C1'-N19 109.596 2.245 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 0 N19-C1'-C2' 118.111 2.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.843 0 C1'-O4'-C4' 106.167 -2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.059 0 O5'-C5'-C4' 112.745 1.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 P-O5'-C5' 115.552 -3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.205 0 P-O5'-C5' 116.013 -3.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-C2' 102.828 -2.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 P-O5'-C5' 115.767 -3.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.486 0 P-O5'-C5' 116.507 -2.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.1 0 P-O5'-C5' 117.979 -1.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 P-O5'-C5' 116.593 -2.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O5'-C5' 115.64 -3.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 0 O5'-C5'-C4' 112.257 1.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p -105.18 136.46 44.64 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 172.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.23 172.27 9.68 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -153.04 125.11 3.83 Favored Pre-proline 0 N--CA 1.436 -1.148 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.14 170.87 17.1 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.836 2.357 . . . . 0.0 109.784 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -116.62 150.31 38.3 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -68.89 149.83 97.77 Favored Pre-proline 0 C--N 1.355 0.835 0 C-N-CA 125.089 1.356 . . . . 0.0 109.705 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -76.89 165.14 28.95 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.991 2.461 . . . . 0.0 108.444 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -138.08 160.75 38.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.0 t -93.54 161.72 14.25 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.28 65.14 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 124.326 1.05 . . . . 0.0 110.397 -175.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -69.83 -35.87 75.12 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.709 1.204 . . . . 0.0 109.742 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.3 tpp -67.26 -34.62 77.82 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.824 1.25 . . . . 0.0 111.486 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.84 -36.43 75.56 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.935 1.294 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -74.32 -32.63 62.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.778 0.831 . . . . 0.0 110.386 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.6 -45.27 93.65 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.625 0.77 . . . . 0.0 112.152 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -74.15 -29.25 61.7 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.295 0.498 . . . . 0.0 112.234 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -81.01 -38.45 27.46 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.451 0.7 . . . . 0.0 110.413 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 3.12 48.42 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.734 0.814 . . . . 0.0 111.299 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -65.51 -37.04 85.62 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 125.27 1.428 . . . . 0.0 112.934 -169.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.59 -37.37 82.47 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.703 1.201 . . . . 0.0 111.256 -176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 m -71.3 -38.34 71.77 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.4 1.08 . . . . 0.0 110.839 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.48 -41.84 64.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.5 1.12 . . . . 0.0 109.373 -175.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.66 -11.22 60.13 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -77.05 -44.18 31.68 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.98 15.73 27.68 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.235 0.614 . . . . 0.0 111.063 -171.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -134.68 147.09 61.69 Favored Pre-proline 0 C--N 1.353 0.74 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -84.6 82.18 1.85 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.875 2.383 . . . . 0.0 112.119 -168.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.02 9.94 Favored Glycine 0 C--N 1.357 1.741 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 171.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.3 tt -87.2 144.15 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 C-N-CA 123.79 0.836 . . . . 0.0 109.258 -168.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -101.34 163.9 12.04 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.57 -23.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 125.603 1.561 . . . . 0.0 113.585 -164.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.1 p -68.68 -37.94 79.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.579 1.152 . . . . 0.0 110.736 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -94.57 -4.66 47.48 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.386 0.674 . . . . 0.0 110.656 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t -77.88 -33.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 167.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.4 -28.04 62.74 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.866 0.866 . . . . 0.0 110.793 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -70.71 -52.7 19.24 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.697 1.199 . . . . 0.0 109.778 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -77.49 -26.39 51.24 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.888 1.275 . . . . 0.0 111.087 -171.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.45 3.45 85.27 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.807 -0.558 . . . . 0.0 112.084 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.55 -34.72 49.0 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -73.75 -37.51 65.03 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.583 1.153 . . . . 0.0 109.342 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.71 -44.78 66.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.245 1.018 . . . . 0.0 111.031 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -56.77 -33.59 66.77 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.204 1.402 . . . . 0.0 112.679 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -57.83 -47.91 81.29 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.659 1.184 . . . . 0.0 111.551 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.57 109.04 3.61 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.34 -60.87 1.45 Allowed 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -148.67 -98.87 0.08 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -122.25 132.83 54.62 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -28.04 16.52 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.3 p -64.25 -21.25 66.52 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 112.847 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.69 -47.97 81.32 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.111 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -83.73 -30.66 26.52 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.608 1.163 . . . . 0.0 110.374 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -72.39 -28.22 62.86 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.577 1.151 . . . . 0.0 110.931 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.79 72.41 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.786 0.834 . . . . 0.0 110.268 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.19 -39.34 71.86 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 124.695 1.198 . . . . 0.0 110.456 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.73 68.44 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.622 1.169 . . . . 0.0 111.347 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.51 -37.34 71.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 124.121 0.968 . . . . 0.0 110.412 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -70.41 -38.21 74.57 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.842 0.857 . . . . 0.0 109.924 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.26 74.69 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.409 1.083 . . . . 0.0 111.459 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -71.48 -48.2 50.63 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 124.088 0.955 . . . . 0.0 109.376 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.56 -38.58 89.98 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.823 1.249 . . . . 0.0 110.948 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.35 -47.54 76.09 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.17 1.388 . . . . 0.0 109.411 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -60.39 -46.89 88.35 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.265 1.426 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.81 -45.39 92.5 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.305 1.842 . . . . 0.0 110.855 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -76.19 -39.88 53.69 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.236 1.015 . . . . 0.0 110.867 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.81 64.14 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 123.995 0.918 . . . . 0.0 113.036 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 m -71.05 -23.32 23.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-N 119.107 0.867 . . . . 0.0 111.27 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -69.27 -42.03 76.09 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.969 0.908 . . . . 0.0 109.378 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.31 -35.82 54.55 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.538 1.135 . . . . 0.0 110.53 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.89 -46.48 71.53 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.174 1.79 . . . . 0.0 110.371 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -89.8 8.33 32.44 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 123.198 0.599 . . . . 0.0 111.071 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.44 42.36 1.1 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -127.63 -96.3 0.42 Allowed 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.624 0 N-CA-C 105.773 -2.931 . . . . 0.0 105.773 179.787 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 1 O4'-C1'-N19 111.713 4.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.047 0 O5'-C5'-C4' 112.842 1.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.704 0 P-O5'-C5' 116.738 -2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 P-O5'-C5' 116.867 -2.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.462 0 P-O5'-C5' 116.59 -2.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 0 P-O5'-C5' 116.36 -2.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.096 1 O4'-C1'-N19 112.497 5.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 C4'-C3'-C2' 99.882 -3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 C5'-C4'-C3' 110.246 -2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.713 0 P-O3'-C3' 116.955 -2.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.456 0 P-O5'-C5' 116.161 -2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.233 0 O4'-C1'-N19 110.626 3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.365 3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 N19-C1'-C2' 118.042 2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.153 0 C5'-C4'-C3' 109.794 -3.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.792 0 O5'-C5'-C4' 112.961 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.276 0 P-O5'-C5' 115.594 -3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 0 P-O5'-C5' 115.847 -3.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 0 P-O5'-C5' 116.596 -2.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 0 C5'-C4'-C3' 110.158 -3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.51 0 P-O5'-C5' 116.66 -2.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 109.101 1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.198 0 P-O5'-C5' 116.189 -2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 P-O5'-C5' 115.262 -3.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.922 1 O4'-C1'-N19 111.09 4.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 C5'-C4'-C3' 112.287 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 121.12 0.486 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -149.91 44.57 0.91 Allowed 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 103.221 -2.881 . . . . 0.0 103.221 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -103.66 -121.21 0.2 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 -171.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -91.21 122.42 66.35 Favored Pre-proline 0 N--CA 1.439 -0.976 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.88 167.31 23.94 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.707 2.272 . . . . 0.0 109.531 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -97.61 148.93 22.8 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -91.46 156.94 42.94 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.35 167.46 21.29 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.857 2.371 . . . . 0.0 108.943 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.38 169.49 17.57 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.004 -2.961 . . . . 0.0 103.004 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -91.58 172.43 8.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.21 72.01 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.429 1.092 . . . . 0.0 109.906 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -70.02 -39.58 75.72 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.95 1.3 . . . . 0.0 109.648 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.4 tpp -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 111.82 -171.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.3 mt -67.35 -34.6 77.66 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.585 1.154 . . . . 0.0 111.262 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -72.67 -35.46 67.71 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.573 0.749 . . . . 0.0 110.215 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.22 -34.91 78.47 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.517 0.727 . . . . 0.0 111.18 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -76.77 -31.92 57.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 123.75 0.82 . . . . 0.0 110.957 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 p -79.8 -37.2 35.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.847 0.459 . . . . 0.0 110.428 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.57 14.77 14.03 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.734 0.814 . . . . 0.0 111.131 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -69.05 -40.83 78.31 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.552 1.141 . . . . 0.0 112.369 -168.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.8 -37.44 73.26 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.651 0.781 . . . . 0.0 110.738 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 m -66.85 -41.66 87.01 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.908 1.283 . . . . 0.0 111.506 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.53 -38.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.531 1.133 . . . . 0.0 109.089 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.06 -19.98 61.07 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -76.09 -45.97 31.32 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 118.937 0.789 . . . . 0.0 109.694 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -92.08 23.71 3.64 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.922 0.489 . . . . 0.0 111.7 -171.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -143.36 153.92 59.86 Favored Pre-proline 0 N--CA 1.441 -0.91 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 172.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -86.14 69.31 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.87 2.38 . . . . 0.0 111.532 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 70.37 1.27 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.8 tt -98.97 144.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 124.211 1.004 . . . . 0.0 109.063 -166.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -104.64 170.69 7.74 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.28 -35.44 74.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 C-N-CA 125.016 1.327 . . . . 0.0 114.354 -164.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.4 p -74.39 -27.34 60.6 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 109.954 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.2 -23.44 26.47 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.079 1.352 . . . . 0.0 109.805 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.7 t -71.52 -26.83 26.99 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 C-N-CA 125.22 1.408 . . . . 0.0 108.904 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.08 63.07 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.49 -0.756 . . . . 0.0 111.988 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -77.86 -57.21 3.92 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.717 1.207 . . . . 0.0 109.35 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -73.84 -35.61 64.83 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.715 1.206 . . . . 0.0 110.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.75 -11.21 84.22 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.903 0.763 . . . . 0.0 111.456 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 -26.22 62.62 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.99 -45.81 47.65 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.89 1.276 . . . . 0.0 109.562 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.28 -21.93 49.02 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 111.007 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -75.48 -38.24 59.69 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.982 1.313 . . . . 0.0 109.206 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -68.46 -46.72 69.03 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.689 0.796 . . . . 0.0 110.377 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.87 92.95 4.26 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -132.0 -150.63 0.43 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -87.74 -106.54 0.07 Allowed 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -115.95 158.24 23.34 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -88.92 -27.96 20.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.96 -25.48 65.24 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.74 2.416 . . . . 0.0 113.879 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.35 -43.49 96.43 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 126.225 1.81 . . . . 0.0 110.502 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -90.81 -31.51 16.46 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 124.942 1.297 . . . . 0.0 109.934 -172.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.59 -39.63 88.49 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.344 1.058 . . . . 0.0 111.276 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.99 80.1 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.986 0.914 . . . . 0.0 110.816 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -73.21 -35.53 66.34 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.229 1.012 . . . . 0.0 110.3 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.95 72.02 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.86 1.264 . . . . 0.0 111.431 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.22 -38.87 68.87 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.452 1.101 . . . . 0.0 110.721 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.72 -27.44 58.17 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.618 0.767 . . . . 0.0 110.599 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.42 62.83 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 123.991 0.916 . . . . 0.0 110.401 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.09 -35.51 59.33 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.575 1.15 . . . . 0.0 109.882 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 125.2 1.4 . . . . 0.0 109.587 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.41 -50.16 72.64 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.516 1.526 . . . . 0.0 109.782 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.59 -53.07 62.37 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.99 1.716 . . . . 0.0 111.292 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -60.43 -45.22 94.42 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.58 1.152 . . . . 0.0 111.195 -171.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -75.17 -36.46 61.49 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.285 0.634 . . . . 0.0 111.146 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.46 -30.15 62.99 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.108 0.963 . . . . 0.0 113.418 -172.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.38 -13.43 15.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 CA-C-N 118.75 0.705 . . . . 0.0 112.84 -173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.04 -36.47 64.4 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.46 -30.44 33.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.477 1.111 . . . . 0.0 110.088 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -71.74 -52.27 18.57 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.495 1.518 . . . . 0.0 108.659 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -93.09 28.58 2.1 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.165 0.986 . . . . 0.0 110.037 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.74 -28.7 24.43 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 169.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -87.08 153.63 21.38 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 105.849 -2.9 . . . . 0.0 105.849 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.296 1 O4'-C1'-N19 111.341 4.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 P-O5'-C5' 117.27 -2.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 0 P-O5'-C5' 116.564 -2.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.115 0 P-O5'-C5' 117.197 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.56 0 P-O5'-C5' 116.799 -2.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 O4'-C1'-N19 110.455 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.577 -2.532 1 O4'-C1'-N19 112.176 5.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.184 2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.062 0 O4'-C1'-N19 109.255 1.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 0 P-O3'-C3' 117.731 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.547 0 O5'-C5'-C4' 112.347 1.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.193 0 O4'-C1'-N19 110.889 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.617 0 O4'-C1'-N19 110.43 3.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.357 0 N19-C1'-C2' 117.978 2.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.191 0 C5'-C4'-C3' 109.935 -3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 0 O5'-C5'-C4' 113.083 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 P-O5'-C5' 115.461 -3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.274 0 P-O5'-C5' 115.888 -3.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-C2' 103.053 -2.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 P-O5'-C5' 116.609 -2.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.389 0 P-O5'-C5' 116.729 -2.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 P-O5'-C5' 117.89 -1.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 0 P-O5'-C5' 116.343 -2.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 0 P-O5'-C5' 115.479 -3.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O4'-C1'-N19 109.185 1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttm . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -136.45 151.84 49.91 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -153.43 -178.8 7.23 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 102.339 -3.208 . . . . 0.0 102.339 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -145.74 129.4 8.49 Favored Pre-proline 0 N--CA 1.436 -1.144 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 175.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -77.46 164.44 28.61 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.443 2.095 . . . . 0.0 109.701 -175.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -137.35 -176.21 4.32 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -74.62 125.76 89.31 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.223 -170.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -89.42 9.14 3.56 Favored 'Trans proline' 0 CA--C 1.51 -0.686 0 C-N-CA 122.604 2.203 . . . . 0.0 111.188 -170.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.58 107.57 5.93 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.465 1.03 . . . . 0.0 110.54 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p -156.91 100.93 1.92 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 103.412 -2.811 . . . . 0.0 103.412 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.75 56.2 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.795 0.838 . . . . 0.0 111.409 -169.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -69.55 -38.19 77.37 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.269 1.427 . . . . 0.0 110.026 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -26.03 63.01 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.282 -176.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.85 -39.84 72.7 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.76 0.824 . . . . 0.0 110.5 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -72.79 -31.9 65.19 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.487 1.115 . . . . 0.0 110.164 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -46.43 86.7 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.797 1.239 . . . . 0.0 110.943 -171.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -74.03 -24.61 59.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.177 0.591 . . . . 0.0 111.97 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -78.83 -45.91 19.83 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.033 0.933 . . . . 0.0 109.36 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.41 2.22 37.61 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.222 1.009 . . . . 0.0 111.509 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -63.57 -34.85 78.73 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.595 1.558 . . . . 0.0 112.533 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -75.11 -29.86 60.7 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.636 0.774 . . . . 0.0 112.214 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.5 p -77.77 -33.62 52.65 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.34 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 126.332 1.853 . . . . 0.0 110.999 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.85 -31.1 70.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.119 0.967 . . . . 0.0 111.84 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -87.35 -34.9 18.66 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 109.862 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.63 -56.87 5.47 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.844 1.258 . . . . 0.0 110.136 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.39 137.76 22.0 Favored Pre-proline 0 N--CA 1.442 -0.826 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -84.19 75.52 3.9 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.046 2.498 . . . . 0.0 111.427 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.13 63.01 2.62 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.4 tt -87.8 153.34 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -80.72 152.65 28.27 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.6 -21.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 124.233 1.013 . . . . 0.0 113.155 -166.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 p -79.97 -28.79 39.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 123.919 0.887 . . . . 0.0 109.798 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.6 -8.28 58.95 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 110.839 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.29 -34.07 56.97 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 C-N-CA 124.638 1.175 . . . . 0.0 108.568 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.35 79.23 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.734 0.814 . . . . 0.0 111.171 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.71 -52.31 57.79 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.946 1.298 . . . . 0.0 111.309 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.58 -16.67 47.61 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.617 0.767 . . . . 0.0 111.114 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.86 -14.73 80.47 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 123.813 0.72 . . . . 0.0 112.057 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.04 63.34 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -74.96 -36.8 62.07 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.486 1.114 . . . . 0.0 109.385 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.58 -22.78 46.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.621 1.169 . . . . 0.0 110.926 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -75.75 -38.73 58.14 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.146 0.979 . . . . 0.0 108.664 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -65.45 -55.26 18.95 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.252 1.021 . . . . 0.0 110.134 -174.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.55 86.1 2.35 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.8 ttm -116.02 -142.82 0.38 Allowed 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -104.67 -99.85 0.32 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 173.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -107.94 140.52 40.95 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -94.81 -20.35 19.54 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 171.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.9 m -60.07 -30.38 69.18 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.169 2.188 . . . . 0.0 113.588 -171.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.97 -46.75 73.69 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.872 1.269 . . . . 0.0 109.396 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -72.41 -34.5 67.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.815 1.246 . . . . 0.0 111.396 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.38 -36.66 68.76 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.496 1.118 . . . . 0.0 110.824 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.39 -30.03 61.79 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.04 0.936 . . . . 0.0 110.757 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -77.31 -29.02 53.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.401 1.081 . . . . 0.0 110.016 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.51 61.02 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.237 1.015 . . . . 0.0 110.055 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.01 -31.71 68.3 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.187 0.995 . . . . 0.0 110.928 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -66.89 -37.18 83.9 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.453 1.101 . . . . 0.0 110.472 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -16.78 63.12 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.146 0.978 . . . . 0.0 112.344 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -75.61 -40.37 56.49 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 124.171 0.988 . . . . 0.0 108.769 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -69.05 -41.92 76.98 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.027 0.931 . . . . 0.0 109.496 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.56 -31.33 72.31 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.352 1.061 . . . . 0.0 111.504 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -64.96 -39.18 93.1 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 110.112 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.24 -35.5 78.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.571 1.148 . . . . 0.0 110.835 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -83.58 -24.94 31.3 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.893 0.477 . . . . 0.0 110.429 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.68 59.51 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.403 1.081 . . . . 0.0 111.656 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.8 m -73.79 -14.95 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 C-N-CA 122.907 0.483 . . . . 0.0 111.608 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -69.12 -47.06 66.1 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.866 0.866 . . . . 0.0 109.174 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -73.58 -29.69 62.55 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.558 1.143 . . . . 0.0 110.952 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.74 -50.73 63.72 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.578 1.551 . . . . 0.0 109.813 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -85.0 -0.87 55.84 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 123.178 0.591 . . . . 0.0 111.623 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.84 58.26 2.61 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -143.89 164.94 29.13 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.784 0 N-CA-C 105.626 -2.989 . . . . 0.0 105.626 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.462 1 O4'-C1'-N19 111.175 4.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.14 0 O5'-C5'-C4' 112.704 1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 P-O5'-C5' 117.119 -2.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 C5'-C4'-C3' 111.893 -1.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 P-O5'-C5' 116.222 -2.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 0 P-O5'-C5' 116.283 -2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 112.221 5.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.037 0 C4'-C3'-C2' 100.004 -3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 C5'-C4'-C3' 110.152 -3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 P-O3'-C3' 117.736 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 P-O5'-C5' 116.61 -2.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 0 O4'-C1'-N19 110.362 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.558 0 O4'-C1'-N19 109.897 2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 0 N19-C1'-C2' 118.033 2.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.545 2.718 0 C1'-O4'-C4' 106.337 -2.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.191 0 O5'-C5'-C4' 112.869 1.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 0 P-O5'-C5' 115.545 -3.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 0 P-O5'-C5' 115.982 -3.074 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 109.967 2.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 0 C4'-C3'-C2' 100.963 -2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.752 0 P-O5'-C5' 116.741 -2.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.954 0 P-O5'-C5' 118.05 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.612 0 P-O5'-C5' 115.922 -3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.175 0 P-O5'-C5' 115.414 -3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.162 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.491 0 O4'-C1'-N19 109.062 1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -147.35 -89.59 0.09 Allowed 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -88.48 156.38 19.13 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -104.6 139.74 20.4 Favored Pre-proline 0 N--CA 1.44 -0.975 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -73.05 162.02 41.92 Favored 'Trans proline' 0 CA--C 1.508 -0.778 0 C-N-CA 122.952 2.435 . . . . 0.0 110.443 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -113.66 140.43 48.23 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 -171.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -82.52 150.32 63.0 Favored Pre-proline 0 N--CA 1.443 -0.824 0 C-N-CA 124.517 1.127 . . . . 0.0 109.589 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -82.56 172.65 11.17 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.468 2.778 . . . . 0.0 109.167 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.56 -173.18 3.35 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.697 -2.335 . . . . 0.0 104.697 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -125.02 170.51 11.08 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.96 69.09 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.828 1.251 . . . . 0.0 110.612 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -71.01 -33.17 70.11 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.675 1.19 . . . . 0.0 109.678 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -39.32 78.38 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.681 1.192 . . . . 0.0 111.013 -173.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -68.51 -39.95 81.04 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.19 1.396 . . . . 0.0 110.572 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -70.13 -34.81 73.53 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.127 0.971 . . . . 0.0 110.966 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.09 -37.85 86.79 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.371 0.668 . . . . 0.0 111.221 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.18 -27.53 53.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 123.479 0.712 . . . . 0.0 110.321 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -77.17 -58.28 3.37 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.102 0.961 . . . . 0.0 109.135 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.37 53.09 1.14 Allowed 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.302 1.041 . . . . 0.0 108.841 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -93.18 -44.33 8.4 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -74.2 -28.52 61.31 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.528 1.531 . . . . 0.0 110.619 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 p -73.77 -32.49 63.83 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.945 0.898 . . . . 0.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.89 -45.23 77.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.309 1.044 . . . . 0.0 109.077 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -74.15 -14.72 61.0 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -74.61 -48.51 26.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.555 0.742 . . . . 0.0 109.208 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -95.51 26.88 3.65 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.359 0.664 . . . . 0.0 111.011 -172.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.74 152.19 78.39 Favored Pre-proline 0 N--CA 1.443 -0.788 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 171.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -86.42 61.08 4.6 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.368 2.712 . . . . 0.0 111.046 -172.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 65.27 1.64 Allowed Glycine 0 C--N 1.351 1.414 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 tt -87.29 148.55 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -87.64 162.78 16.93 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 m -71.97 -26.17 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 C-N-CA 124.37 1.068 . . . . 0.0 112.578 -167.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.9 m -78.66 -31.34 46.72 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.194 0.997 . . . . 0.0 108.776 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -80.23 -4.67 54.13 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.706 1.202 . . . . 0.0 111.794 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.43 -30.15 38.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 124.345 1.058 . . . . 0.0 108.551 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.46 -11.27 59.83 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.888 0.875 . . . . 0.0 111.86 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -92.68 -55.25 3.45 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -75.43 -27.25 58.89 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.381 0.672 . . . . 0.0 110.946 -170.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.66 -4.17 87.58 Favored Glycine 0 C--N 1.352 1.463 0 C-N-CA 123.632 0.634 . . . . 0.0 112.023 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.46 -25.76 60.5 Favored Glycine 0 C--N 1.355 1.597 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -72.45 -43.52 63.66 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.161 1.385 . . . . 0.0 108.757 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -79.64 -19.87 48.12 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.399 1.48 . . . . 0.0 111.358 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -79.81 -40.97 27.43 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.491 1.117 . . . . 0.0 109.024 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -70.18 -47.77 60.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.307 0.643 . . . . 0.0 109.728 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.73 82.65 2.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -123.22 -149.13 0.42 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.41 -111.26 0.18 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.07 153.04 20.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -109.51 1.83 20.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.6 p -68.23 -30.47 69.53 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.83 1.652 . . . . 0.0 112.473 -171.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.93 -41.88 81.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.089 1.356 . . . . 0.0 110.435 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -85.73 -34.19 21.29 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 124.181 0.992 . . . . 0.0 110.645 -168.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -76.83 -26.75 54.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 122.784 0.434 . . . . 0.0 111.036 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.08 -32.01 50.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.926 0.89 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.04 -40.28 62.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.164 1.386 . . . . 0.0 109.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.53 69.09 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.873 1.269 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.58 -26.98 61.91 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.705 1.202 . . . . 0.0 111.505 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -70.65 -43.91 68.19 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.73 -20.48 62.64 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.131 0.972 . . . . 0.0 111.649 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -76.01 -43.03 46.17 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.093 1.357 . . . . 0.0 109.698 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.96 -47.29 46.72 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.615 1.166 . . . . 0.0 109.085 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.515 1.126 . . . . 0.0 111.739 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.71 -58.54 3.55 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.63 -38.43 87.64 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.511 1.524 . . . . 0.0 111.529 -172.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -70.24 -46.88 63.54 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.433 1.093 . . . . 0.0 110.581 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.9 -33.29 62.01 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 123.282 0.633 . . . . 0.0 112.606 -171.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 m -69.03 -26.5 32.42 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 119.163 0.892 . . . . 0.0 111.141 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -69.38 -42.43 75.18 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.747 0.819 . . . . 0.0 109.603 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.06 -33.28 51.0 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.884 1.273 . . . . 0.0 110.603 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.01 -49.29 62.46 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.103 1.761 . . . . 0.0 109.814 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -85.08 -4.1 59.03 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.68 0.792 . . . . 0.0 111.392 -174.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.88 65.8 5.81 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -156.74 145.19 19.76 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 102.768 -3.049 . . . . 0.0 102.768 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.788 0 N-CA-C 105.933 -2.867 . . . . 0.0 105.933 -177.074 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 O4'-C1'-N19 110.133 2.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.731 0 P-O5'-C5' 116.671 -2.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 P-O5'-C5' 116.578 -2.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 P-O5'-C5' 116.67 -2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 P-O5'-C5' 116.151 -2.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.095 0 O4'-C1'-N19 110.225 3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 2 O4'-C1'-N19 112.033 5.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.847 0 C4'-C3'-C2' 99.289 -3.911 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 0 C5'-C4'-C3' 110.309 -2.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.777 0 O5'-C5'-C4' 112.275 1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.721 0 O5'-C5'-C4' 112.288 1.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.595 0 O4'-C1'-N19 110.411 3.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 0 N19-C1'-C2' 117.996 2.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.365 0 C5'-C4'-C3' 109.608 -3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 O5'-C5'-C4' 112.551 1.679 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.099 0 P-O5'-C5' 115.522 -3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 0 P-O5'-C5' 115.993 -3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-C2' 103.2 -2.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 0 C4'-C3'-C2' 99.999 -3.201 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.083 0 O5'-C5'-C4' 112.785 1.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 P-O5'-C5' 116.721 -2.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.816 0 P-O5'-C5' 116.252 -2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.333 0 P-O5'-C5' 114.98 -3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.739 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.55 0 C5'-C4'-C3' 112.359 -1.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -93.1 113.22 25.41 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.51 133.68 55.37 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 102.775 -3.046 . . . . 0.0 102.775 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -163.11 137.9 4.98 Favored Pre-proline 0 N--CA 1.44 -0.936 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.16 160.3 29.79 Favored 'Trans proline' 0 CA--C 1.507 -0.836 0 CA-C-N 122.826 2.045 . . . . 0.0 110.413 -174.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -147.82 94.33 2.33 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 57.79 82.78 0.23 Allowed Pre-proline 0 C--N 1.356 0.858 0 C-N-CA 126.742 2.017 . . . . 0.0 113.891 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.21 163.17 33.08 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.795 2.33 . . . . 0.0 109.81 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp 55.75 91.33 0.03 OUTLIER 'General case' 0 C--N 1.357 0.934 0 C-N-CA 127.361 2.265 . . . . 0.0 112.599 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -88.8 153.97 20.65 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.81 74.0 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.439 1.095 . . . . 0.0 110.953 -174.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.89 -36.99 75.88 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.024 1.33 . . . . 0.0 109.775 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 tpp -69.56 -33.85 73.35 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.272 1.029 . . . . 0.0 111.231 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.2 -31.96 64.5 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.133 0.973 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -73.4 -33.69 65.13 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.677 0.791 . . . . 0.0 110.117 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.7 -41.27 98.13 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -74.83 -24.16 58.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 118.798 0.726 . . . . 0.0 111.691 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -76.91 -46.77 23.13 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.346 1.058 . . . . 0.0 108.742 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.74 58.4 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.319 1.047 . . . . 0.0 112.142 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -50.41 -48.57 56.03 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.372 2.269 . . . . 0.0 113.121 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.43 -35.58 75.83 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.612 1.165 . . . . 0.0 111.195 -169.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.0 m -72.3 -38.37 68.76 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.438 1.095 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.14 -36.7 74.47 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 125.078 1.351 . . . . 0.0 109.915 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -80.47 -4.75 54.98 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -83.1 -36.46 24.82 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.34 -53.64 6.15 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.27 1.028 . . . . 0.0 109.665 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -87.59 143.0 33.27 Favored Pre-proline 0 N--CA 1.443 -0.775 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 -175.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -81.13 86.69 1.58 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.013 2.475 . . . . 0.0 112.455 -162.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 50.61 37.77 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 tt -85.23 142.39 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 123.884 0.874 . . . . 0.0 109.055 -169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -93.66 161.69 14.24 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.23 -21.74 26.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -166.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 p -73.16 -30.11 63.34 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.856 1.262 . . . . 0.0 110.035 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -94.19 -17.29 22.87 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 125.469 1.508 . . . . 0.0 109.354 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -73.43 -24.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 124.82 1.248 . . . . 0.0 108.246 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.58 68.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.433 -0.792 . . . . 0.0 111.6 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -71.62 -52.4 18.19 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.016 0.926 . . . . 0.0 109.803 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -75.92 -36.77 59.28 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.048 0.939 . . . . 0.0 110.536 -172.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.81 -7.26 87.55 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 124.393 0.997 . . . . 0.0 111.951 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.43 -27.56 59.26 Favored Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.83 -37.15 41.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.279 1.432 . . . . 0.0 108.985 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.86 -29.48 58.55 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.722 1.209 . . . . 0.0 111.188 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -72.96 -36.48 67.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.928 1.291 . . . . 0.0 109.71 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 -66.51 -48.2 70.52 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.463 1.105 . . . . 0.0 110.528 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.85 81.99 1.55 Allowed 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -113.84 -137.91 0.37 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -114.02 -120.93 0.3 Allowed 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 104.041 -2.577 . . . . 0.0 104.041 173.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -90.61 153.16 20.53 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -106.4 -2.71 21.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -63.02 -33.18 74.88 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.067 2.147 . . . . 0.0 111.48 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.86 -45.67 92.77 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.435 1.494 . . . . 0.0 111.072 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -82.82 -29.83 29.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.308 1.043 . . . . 0.0 111.093 -170.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.77 -33.84 62.35 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.777 0.831 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.81 -26.19 59.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.199 1.0 . . . . 0.0 110.765 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -75.7 -35.28 60.35 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.975 0.91 . . . . 0.0 109.049 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.89 4.67 24.65 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.79 1.236 . . . . 0.0 111.602 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.8 48.77 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.645 0.778 . . . . 0.0 109.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -77.77 -18.13 56.77 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.129 0.972 . . . . 0.0 110.502 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.2 45.83 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 123.111 0.564 . . . . 0.0 109.9 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.6 -39.9 57.24 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.07 1.348 . . . . 0.0 108.153 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.12 -42.11 89.61 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.378 1.471 . . . . 0.0 109.944 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.16 -23.35 59.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.463 1.105 . . . . 0.0 111.155 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.93 -40.81 94.61 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.14 -46.87 87.23 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.639 1.576 . . . . 0.0 110.711 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -79.39 -30.52 42.52 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.494 0.718 . . . . 0.0 110.697 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.1 67.9 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.025 1.33 . . . . 0.0 111.826 -175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.31 -19.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 C-N-CA 122.773 0.429 . . . . 0.0 111.881 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -74.13 -34.16 63.8 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.726 0.81 . . . . 0.0 110.099 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -82.27 -31.25 30.18 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.851 0.86 . . . . 0.0 110.218 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -69.64 -52.12 28.75 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.599 1.56 . . . . 0.0 110.118 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.55 -22.39 57.09 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 110.817 -174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.99 73.58 9.08 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 174.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -155.87 -177.55 6.65 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 103.05 -2.944 . . . . 0.0 103.05 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 108.287 -1.925 . . . . 0.0 108.287 -179.488 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 O4'-C1'-N19 110.667 3.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.954 0 P-O5'-C5' 117.174 -2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.745 0 P-O5'-C5' 116.785 -2.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 0 P-O5'-C5' 115.803 -3.186 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 P-O5'-C5' 116.168 -2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.463 0 P-O5'-C5' 116.373 -2.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 1 O4'-C1'-N19 111.466 4.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.117 1 C4'-C3'-C2' 98.341 -4.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 109.755 2.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.974 0 P-O5'-C5' 117.408 -2.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.599 0 C5'-C4'-C3' 112.557 -1.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.224 0 O4'-C1'-N19 110.542 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.626 0 C5'-C4'-C3' 112.206 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.195 0 N19-C1'-C2' 118.029 2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.276 0 C5'-C4'-C3' 110.137 -3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.468 0 C3'-C2'-C1' 98.767 -2.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.735 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 0 P-O5'-C5' 116.399 -2.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-C2' 103.173 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.738 0 C5'-C4'-C3' 110.201 -2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.58 0 P-O5'-C5' 116.495 -2.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 0 C3'-C2'-C1' 105.195 1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 P-O5'-C5' 116.082 -3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O5'-C5' 115.716 -3.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.863 0 O5'-C5'-C4' 112.325 1.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -110.78 -132.09 0.32 Allowed 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.7 152.16 23.3 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -146.83 129.85 8.02 Favored Pre-proline 0 N--CA 1.435 -1.2 0 N-CA-C 102.871 -3.011 . . . . 0.0 102.871 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.03 156.32 42.82 Favored 'Trans proline' 0 CA--C 1.505 -0.939 0 C-N-CA 122.577 2.185 . . . . 0.0 109.218 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -120.4 -157.8 0.73 Allowed 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 -175.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -76.54 119.0 75.51 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.076 -168.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -85.01 94.58 0.66 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.901 2.401 . . . . 0.0 111.021 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.4 139.91 17.83 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -171.83 127.34 0.61 Allowed 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.16 -37.98 25.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 123.197 0.599 . . . . 0.0 110.302 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.02 -39.36 83.16 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.441 1.496 . . . . 0.0 110.488 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 tpp -73.28 -28.96 62.41 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 123.029 0.532 . . . . 0.0 111.739 -169.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.99 -32.59 65.26 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.278 1.031 . . . . 0.0 110.53 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -72.02 -31.16 65.93 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.492 1.117 . . . . 0.0 110.302 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.91 -26.92 64.39 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.536 0.734 . . . . 0.0 111.406 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -77.18 -29.81 54.59 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.498 0.719 . . . . 0.0 109.95 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.4 t -75.03 -45.23 43.08 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.294 1.037 . . . . 0.0 109.371 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.85 8.39 23.11 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.127 0.971 . . . . 0.0 111.686 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -66.76 -39.62 87.95 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.844 1.258 . . . . 0.0 111.757 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -65.64 -48.06 73.48 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.011 1.324 . . . . 0.0 110.16 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -66.99 -43.23 83.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.727 1.211 . . . . 0.0 112.237 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.3 -32.78 59.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 125.091 1.356 . . . . 0.0 110.967 -174.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -63.98 -42.57 97.2 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.133 0.973 . . . . 0.0 112.258 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.5 -31.38 24.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 C-N-CA 122.285 0.234 . . . . 0.0 111.14 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.62 -54.62 9.81 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.726 0.811 . . . . 0.0 110.684 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.86 137.6 33.44 Favored Pre-proline 0 C--N 1.353 0.726 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.78 91.25 1.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.171 2.58 . . . . 0.0 112.201 -163.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.27 50.2 13.15 Favored Glycine 0 C--N 1.354 1.558 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 tt -84.65 144.67 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -88.44 157.57 18.63 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -72.9 -19.99 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 C-N-CA 124.668 1.187 . . . . 0.0 112.667 -168.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.2 p -78.54 -30.25 46.87 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.173 0.989 . . . . 0.0 109.769 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.4 -4.27 59.11 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.572 1.149 . . . . 0.0 111.03 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.76 -27.59 28.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 125.088 1.355 . . . . 0.0 108.452 173.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -13.38 60.07 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.734 0.813 . . . . 0.0 111.9 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -86.12 -58.04 2.79 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -71.06 -31.08 67.39 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.758 1.223 . . . . 0.0 111.776 -169.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.85 -7.03 87.84 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.48 -25.27 57.2 Favored Glycine 0 C--N 1.355 1.587 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.04 -37.67 66.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.37 1.468 . . . . 0.0 108.945 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.16 -28.83 31.91 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.046 1.338 . . . . 0.0 111.12 -176.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.02 -34.07 68.54 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.672 1.189 . . . . 0.0 109.997 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -45.44 78.27 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.881 0.873 . . . . 0.0 110.022 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.03 73.35 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -117.59 -139.97 0.36 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -117.21 -124.09 0.29 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -91.95 160.55 15.21 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.775 0.83 . . . . 0.0 108.91 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -3.6 49.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.05 0.94 . . . . 0.0 108.481 174.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 t -63.38 -30.79 71.86 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 126.497 1.919 . . . . 0.0 112.16 -170.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.9 -44.06 90.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.284 1.033 . . . . 0.0 110.712 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.69 -31.35 22.52 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.785 0.834 . . . . 0.0 111.997 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -79.21 -25.02 42.73 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.542 0.61 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.04 -29.91 55.42 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 123.819 0.848 . . . . 0.0 109.847 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -77.08 -26.3 53.29 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.201 1.001 . . . . 0.0 109.761 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.79 -6.94 57.25 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.536 1.134 . . . . 0.0 111.413 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.33 -20.95 54.16 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.874 0.869 . . . . 0.0 110.314 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -70.41 -35.96 73.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.482 1.113 . . . . 0.0 108.791 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.88 63.63 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.565 1.146 . . . . 0.0 112.301 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.329 1.051 . . . . 0.0 109.863 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.69 -28.65 60.91 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.872 1.269 . . . . 0.0 109.512 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.69 -37.49 67.85 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 109.625 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -64.38 -34.83 79.08 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 126.603 1.961 . . . . 0.0 110.761 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.34 -39.54 83.5 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.599 1.56 . . . . 0.0 111.138 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -83.48 -36.07 24.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -32.03 72.23 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 112.96 -172.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.04 -22.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 O-C-N 121.96 -0.462 . . . . 0.0 111.59 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -74.0 -32.88 63.59 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 121.644 -0.66 . . . . 0.0 110.078 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.86 -39.09 64.21 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.288 1.035 . . . . 0.0 109.88 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -65.97 -48.8 70.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.966 1.706 . . . . 0.0 110.473 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -88.15 10.43 19.37 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 122.994 0.518 . . . . 0.0 111.221 -173.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.19 35.98 2.39 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 173.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -121.86 135.08 54.88 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.726 0 N-CA-C 105.801 -2.92 . . . . 0.0 105.801 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.442 0 O4'-C1'-N19 110.8 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.686 0 P-O5'-C5' 117.154 -2.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.057 0 P-O5'-C5' 116.042 -3.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.264 0 P-O5'-C5' 116.785 -2.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 P-O5'-C5' 116.147 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 P-O5'-C5' 116.128 -2.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 112.217 5.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.062 0 C4'-C3'-C2' 100.059 -3.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.279 0 O5'-C5'-C4' 114.397 2.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 O4'-C1'-C2' 102.807 -2.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 C5'-C4'-C3' 112.04 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.532 0 O4'-C1'-N19 110.193 2.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 N19-C1'-C2' 118.09 2.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.551 0 O4'-C1'-N19 109.966 2.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.086 0 O5'-C5'-C4' 112.884 1.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.168 0 P-O5'-C5' 115.628 -3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.112 0 P-O5'-C5' 115.908 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.009 0 O4'-C1'-C2' 102.488 -3.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.578 0 P-O5'-C5' 116.272 -2.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 P-O5'-C5' 116.698 -2.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 109.827 2.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 P-O5'-C5' 115.971 -3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.848 0 P-O5'-C5' 115.23 -3.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 1 O4'-C1'-N19 111.386 4.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 0 O4'-C1'-N19 109.139 1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -148.93 160.57 43.16 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -129.36 163.84 24.89 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -121.81 133.05 24.14 Favored Pre-proline 0 N--CA 1.44 -0.948 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -77.02 164.87 29.11 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.864 2.376 . . . . 0.0 109.701 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -101.77 142.75 32.61 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -67.73 155.1 92.23 Favored Pre-proline 0 C--N 1.353 0.748 0 C-N-CA 126.244 1.818 . . . . 0.0 110.861 -175.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.15 156.74 42.34 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 122.831 2.354 . . . . 0.0 108.663 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 mt -139.37 158.74 43.62 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 t -115.54 160.06 20.44 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.06 72.65 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.651 1.18 . . . . 0.0 110.696 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.01 -40.51 78.64 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.764 1.226 . . . . 0.0 109.682 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.7 mmm -78.03 -21.71 50.31 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 122.909 0.484 . . . . 0.0 112.1 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 mt -76.79 -34.07 58.0 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.565 0.746 . . . . 0.0 110.324 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -73.68 -28.17 61.61 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 123.635 0.774 . . . . 0.0 109.628 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.744 1.218 . . . . 0.0 111.35 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -76.09 -29.29 57.88 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.32 0.648 . . . . 0.0 112.12 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -78.77 -36.7 42.59 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 122.844 0.457 . . . . 0.0 109.792 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.03 14.51 17.54 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.805 0.842 . . . . 0.0 110.736 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -77.69 -37.64 49.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.254 -0.904 . . . . 0.0 109.438 -175.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.46 -30.85 67.78 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.723 1.209 . . . . 0.0 112.04 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -75.16 -47.27 29.26 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 122.877 0.471 . . . . 0.0 110.011 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.73 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.187 1.395 . . . . 0.0 110.931 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -18.9 60.58 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -93.18 -35.25 13.25 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.677 0.671 . . . . 0.0 109.926 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.08 -46.88 61.0 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.661 0.784 . . . . 0.0 110.447 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -88.67 141.75 30.33 Favored Pre-proline 0 C--N 1.352 0.706 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.14 80.73 2.54 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.968 2.445 . . . . 0.0 111.637 -165.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.37 56.97 4.87 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 175.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 tt -80.87 148.26 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -81.58 154.73 26.05 Favored 'General case' 0 CA--C 1.501 -0.924 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.09 -28.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 125.125 1.37 . . . . 0.0 111.641 -168.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -71.35 -32.68 68.81 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.806 1.243 . . . . 0.0 110.447 175.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -86.14 -2.57 58.47 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.056 0.942 . . . . 0.0 111.114 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -76.34 -34.26 25.01 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.84 -16.42 60.07 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.036 0.934 . . . . 0.0 111.21 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -83.19 -47.98 11.0 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -41.14 63.47 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.348 1.459 . . . . 0.0 110.711 -170.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.7 -0.21 79.53 Favored Glycine 0 C--N 1.353 1.504 0 C-N-CA 124.159 0.885 . . . . 0.0 113.44 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.34 -25.78 67.5 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -75.29 -36.03 61.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 110.147 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.57 -27.62 51.49 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.1 0.96 . . . . 0.0 110.438 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -74.76 -27.58 60.4 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.315 1.046 . . . . 0.0 110.795 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -67.94 -43.73 78.44 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.891 0.876 . . . . 0.0 110.048 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 23.93 4.73 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.802 0.841 . . . . 0.0 110.843 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -52.33 5.76 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 82.89 -71.79 0.04 OUTLIER 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.519 1.928 . . . . 0.0 111.961 170.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.68 77.35 7.92 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -94.51 6.12 49.76 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.413 1.485 . . . . 0.0 110.42 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -62.27 -26.2 68.27 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.66 1.984 . . . . 0.0 113.42 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.33 -48.0 81.75 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.078 1.351 . . . . 0.0 110.63 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -82.31 -30.1 30.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.206 1.002 . . . . 0.0 110.549 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.38 -34.34 70.32 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.418 1.087 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.33 73.01 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.967 0.907 . . . . 0.0 110.552 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.72 -40.45 69.46 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.316 1.046 . . . . 0.0 110.144 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.61 75.45 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 125.303 1.441 . . . . 0.0 111.683 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.56 73.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 124.454 1.102 . . . . 0.0 110.542 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.38 -36.87 79.79 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.761 0.824 . . . . 0.0 110.522 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.51 70.58 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.295 1.038 . . . . 0.0 112.079 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -74.33 -47.28 35.44 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.026 0.931 . . . . 0.0 110.129 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -70.62 -39.91 73.46 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 123.669 0.788 . . . . 0.0 111.366 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -69.89 -30.58 68.05 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.693 0.797 . . . . 0.0 110.554 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -69.15 -54.34 15.42 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.586 0.755 . . . . 0.0 109.465 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.12 -44.73 83.57 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.2 1.8 . . . . 0.0 111.969 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -75.15 -43.33 53.04 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 123.295 0.638 . . . . 0.0 110.653 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.83 62.79 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -170.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.79 -23.8 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.349 0.977 . . . . 0.0 111.509 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.35 -31.98 60.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.331 0.652 . . . . 0.0 109.862 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.41 -35.93 39.88 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.639 1.176 . . . . 0.0 109.859 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -67.44 -53.36 29.64 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 126.616 1.966 . . . . 0.0 109.897 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -86.34 10.07 16.03 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.264 1.026 . . . . 0.0 111.528 -174.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.33 -27.35 38.4 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -87.89 174.43 8.34 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.771 0 N-CA-C 107.688 -2.165 . . . . 0.0 107.688 179.456 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.279 4.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.037 0 P-O5'-C5' 117.736 -1.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.754 0 P-O5'-C5' 116.501 -2.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 0 P-O5'-C5' 117.585 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.369 0 OP1-P-OP2 116.509 -2.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 P-O5'-C5' 117.608 -2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.135 1 O4'-C1'-N19 114.803 8.754 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 C2'-C3'-O3' 118.571 2.952 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.84 1 P-O3'-C3' 130.433 8.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 P-O5'-C5' 117.583 -2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.351 0 P-O5'-C5' 115.896 -3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 0 O4'-C1'-N19 110.176 2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 O4'-C1'-N19 109.819 2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.336 0 N19-C1'-C2' 118.16 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.771 0 O4'-C1'-N19 109.843 2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.964 0 O5'-C5'-C4' 112.877 1.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.42 0 P-O5'-C5' 115.791 -3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.441 0 P-O5'-C5' 116.743 -2.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 0 P-O5'-C5' 118.159 -1.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.888 0 O5'-C5'-C4' 114.941 3.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.427 0 P-O5'-C5' 116.257 -2.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 0 P-O5'-C5' 116.846 -2.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.168 0 P-O5'-C5' 116.125 -2.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 P-O5'-C5' 114.681 -3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 0 O4'-C1'-N19 110.806 3.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.725 0 O5'-C5'-C4' 112.277 1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -120.51 108.96 14.72 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 55.74 -132.21 1.7 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 126.637 1.975 . . . . 0.0 110.698 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -163.79 122.11 1.25 Allowed Pre-proline 0 N--CA 1.435 -1.211 0 N-CA-C 103.435 -2.802 . . . . 0.0 103.435 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.59 157.75 36.08 Favored 'Trans proline' 0 CA--C 1.508 -0.785 0 C-N-CA 122.669 2.246 . . . . 0.0 110.138 -170.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -116.72 -168.79 1.51 Allowed 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -79.14 120.74 81.73 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.871 -169.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.63 99.11 0.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.138 2.559 . . . . 0.0 111.547 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.77 132.07 13.68 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 168.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 t -165.43 122.81 1.51 Allowed 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 101.51 -3.515 . . . . 0.0 101.51 171.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -31.14 32.67 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 123.42 0.688 . . . . 0.0 110.601 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -68.99 -40.88 78.48 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.145 1.378 . . . . 0.0 109.615 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 tpp -68.07 -32.14 72.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.201 1.001 . . . . 0.0 112.203 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.04 -31.98 63.13 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.219 1.008 . . . . 0.0 110.859 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -72.91 -32.62 65.46 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.967 0.907 . . . . 0.0 110.277 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.1 mt -66.27 -40.14 89.9 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 123.658 0.783 . . . . 0.0 112.489 -175.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -76.94 -24.55 52.4 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.387 0.54 . . . . 0.0 111.138 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.8 t -77.64 -52.49 8.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.875 0.87 . . . . 0.0 108.929 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 28.37 1.91 Allowed 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.061 0.944 . . . . 0.0 110.625 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -73.48 -29.25 62.4 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.912 0.885 . . . . 0.0 110.106 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.2 -23.83 62.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.051 1.34 . . . . 0.0 111.608 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 m -79.15 -48.08 14.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.592 0.757 . . . . 0.0 109.053 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.37 -36.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 C-N-CA 126.301 1.841 . . . . 0.0 111.141 -171.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -75.51 -13.62 60.37 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -91.25 -35.2 14.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.01 -50.88 13.6 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.489 1.116 . . . . 0.0 109.696 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -96.33 147.74 33.41 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -83.88 76.59 3.63 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.922 2.415 . . . . 0.0 111.764 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.22 60.52 4.4 Favored Glycine 0 C--N 1.356 1.691 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 tt -92.91 144.74 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -99.72 167.73 10.37 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.2 m -67.67 -27.13 37.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 124.753 1.221 . . . . 0.0 113.547 -167.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 p -75.61 -28.03 58.7 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.468 1.107 . . . . 0.0 109.919 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -88.53 -21.45 24.11 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.0 1.32 . . . . 0.0 109.965 -176.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.42 -25.8 21.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 124.789 1.235 . . . . 0.0 109.101 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.79 65.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.844 0.857 . . . . 0.0 111.61 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -87.21 52.33 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.339 1.056 . . . . 0.0 109.294 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 57.78 46.07 17.68 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.233 2.213 . . . . 0.0 112.417 172.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.14 -25.14 20.38 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.33 -62.55 2.06 Favored Glycine 0 C--N 1.355 1.605 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.372 11.3 pt-20 66.01 -27.45 0.11 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 129.632 3.173 . . . . 0.0 116.57 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.0 mt -75.07 -8.38 56.39 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 125.902 1.681 . . . . 0.0 111.024 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -70.79 -34.74 72.09 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.665 1.586 . . . . 0.0 110.374 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.607 0.763 . . . . 0.0 110.438 -167.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.58 87.72 2.78 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 170.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.7 tmm? -106.52 -92.91 0.39 Allowed 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -145.53 -91.51 0.1 Allowed 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 102.875 -3.009 . . . . 0.0 102.875 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -128.36 179.81 5.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.32 -2.02 16.92 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.6 m -60.65 -33.35 72.68 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.627 1.971 . . . . 0.0 113.259 -168.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.83 -45.24 86.98 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.366 1.466 . . . . 0.0 111.083 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -82.29 -28.86 31.5 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 124.354 1.062 . . . . 0.0 110.643 -170.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -73.51 -28.78 62.09 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.275 1.03 . . . . 0.0 110.273 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.07 59.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.193 0.997 . . . . 0.0 110.867 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.96 -25.35 52.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.49 0.716 . . . . 0.0 110.365 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.29 59.94 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.986 0.915 . . . . 0.0 111.151 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.22 57.15 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.939 0.896 . . . . 0.0 109.873 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -71.95 -29.16 63.99 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.91 0.884 . . . . 0.0 110.604 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.32 60.64 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.02 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.434 ' HB2' ' HZ3' ' A' ' 60' ' ' LYS . 4.0 ttmp? -84.47 -30.97 24.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.722 1.209 . . . . 0.0 109.229 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -74.15 -36.6 64.13 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.88 0.872 . . . . 0.0 109.088 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -75.88 -21.28 57.33 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.264 1.026 . . . . 0.0 110.216 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -68.02 -42.15 81.07 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.309 1.044 . . . . 0.0 109.205 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.8 -35.68 81.37 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 124.83 1.252 . . . . 0.0 110.415 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -71.43 -45.91 61.43 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.088 0.955 . . . . 0.0 110.126 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.68 91.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 125.049 1.34 . . . . 0.0 112.932 -172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.97 -14.88 16.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 122.923 0.489 . . . . 0.0 111.677 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.58 -47.41 40.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.523 0.729 . . . . 0.0 109.612 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.23 -24.0 54.59 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.597 0.759 . . . . 0.0 110.851 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -67.83 -47.46 68.94 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.422 1.489 . . . . 0.0 110.146 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -82.62 -17.84 43.29 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 123.087 0.555 . . . . 0.0 110.821 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.64 -64.63 1.1 Allowed 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.438 0.695 . . . . 0.0 109.205 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -103.1 106.03 16.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.815 0 N-CA-C 106.835 -2.506 . . . . 0.0 106.835 -178.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 4.0 0 P-O5'-C5' 117.585 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 0 P-O5'-C5' 116.747 -2.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 P-O5'-C5' 116.806 -2.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.192 0 P-O5'-C5' 115.871 -3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.291 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 113.893 7.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.567 0 C5'-C4'-C3' 110.737 -2.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 0 C5'-C4'-C3' 110.549 -2.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.931 0 O5'-C5'-C4' 112.63 1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.541 0 O5'-C5'-C4' 112.324 1.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.306 3.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 0 O4'-C1'-N19 109.3 1.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 0 N19-C1'-C2' 118.145 2.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.796 0 C1'-O4'-C4' 106.459 -2.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.908 0 O4'-C1'-N19 110.015 2.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 O4'-C1'-N19 110.56 3.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 0 P-O5'-C5' 116.195 -2.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 O4'-C1'-C2' 102.946 -2.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 0 O4'-C1'-N19 110.182 2.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.47 0 O5'-C5'-C4' 112.97 1.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 0 P-O5'-C5' 117.708 -1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.989 0 O5'-C5'-C4' 113.42 2.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O4'-C1'-N19 110.038 2.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.054 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C5'-C4'-C3' 112.415 -1.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 tpp . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -144.89 54.78 1.23 Allowed 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.72 146.88 34.79 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 102.273 -3.232 . . . . 0.0 102.273 175.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -152.14 134.73 8.88 Favored Pre-proline 0 N--CA 1.437 -1.105 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.34 174.14 13.2 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.809 2.339 . . . . 0.0 110.662 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -86.3 148.13 25.75 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -78.4 151.87 78.14 Favored Pre-proline 0 C--N 1.354 0.803 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -78.58 165.33 25.12 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 122.57 2.18 . . . . 0.0 108.137 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -142.91 174.81 10.34 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 p -103.71 168.29 9.24 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.63 -31.79 62.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 124.118 0.967 . . . . 0.0 110.0 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.14 -41.28 77.51 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.158 1.383 . . . . 0.0 109.717 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 tpp -66.26 -32.89 74.58 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.673 1.189 . . . . 0.0 111.921 -173.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.87 -30.34 66.69 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.779 1.232 . . . . 0.0 111.754 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -77.96 -27.34 49.22 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 123.198 0.599 . . . . 0.0 110.412 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.4 -34.58 77.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 123.294 0.638 . . . . 0.0 112.095 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -82.41 -22.84 35.16 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.09 0.404 . . . . 0.0 111.909 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -83.06 -39.54 21.05 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.492 0.587 . . . . 0.0 109.828 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.24 8.31 33.81 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.871 0.868 . . . . 0.0 111.088 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.51 -43.89 96.58 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.23 1.812 . . . . 0.0 112.236 -171.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.16 -23.64 63.02 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.831 0.852 . . . . 0.0 112.915 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -77.32 -47.49 19.86 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.19 -37.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 125.958 1.703 . . . . 0.0 111.552 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -70.82 -22.26 62.36 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -88.81 -43.88 10.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.18 -47.01 60.09 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 124.314 1.045 . . . . 0.0 110.595 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.31 139.73 22.12 Favored Pre-proline 0 N--CA 1.442 -0.838 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -82.65 88.1 1.29 Allowed 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.826 2.351 . . . . 0.0 112.879 -163.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 48.92 25.2 Favored Glycine 0 C--N 1.358 1.779 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 170.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.0 tt -86.59 140.06 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 125.001 1.32 . . . . 0.0 110.099 -164.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -93.19 162.97 13.8 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.71 -20.94 26.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 125.259 1.424 . . . . 0.0 114.116 -166.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.3 p -78.24 -24.16 47.08 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.483 1.113 . . . . 0.0 109.899 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.86 -25.16 17.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 125.394 1.478 . . . . 0.0 109.072 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.13 -27.16 31.33 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 125.253 1.421 . . . . 0.0 108.424 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.62 71.03 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.535 0.734 . . . . 0.0 111.508 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -81.94 -52.4 7.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.02 0.528 . . . . 0.0 110.72 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -74.71 -29.27 61.13 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 121.729 -0.607 . . . . 0.0 112.115 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.07 -11.63 82.19 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.22 -25.22 62.0 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.3 -40.41 64.55 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.377 1.071 . . . . 0.0 109.473 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.86 -29.92 56.06 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.261 1.025 . . . . 0.0 110.78 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -70.34 -37.49 74.67 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.156 0.582 . . . . 0.0 110.112 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -59.71 -54.98 40.01 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.861 1.264 . . . . 0.0 111.173 -172.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.85 110.42 17.18 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ptp -134.55 -154.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -88.99 -100.69 0.09 Allowed 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.23 138.54 50.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 10.92 26.16 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 124.471 1.108 . . . . 0.0 108.571 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -59.6 -29.51 68.02 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.509 1.924 . . . . 0.0 113.472 -172.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -64.97 -45.06 87.24 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.198 1.399 . . . . 0.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -83.1 -33.06 26.43 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 124.467 1.107 . . . . 0.0 110.305 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.67 -40.24 80.26 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 124.423 1.089 . . . . 0.0 110.586 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.09 -40.98 82.52 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.933 0.893 . . . . 0.0 111.055 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.01 -45.05 64.64 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.376 1.07 . . . . 0.0 110.41 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.06 89.86 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.035 1.334 . . . . 0.0 112.158 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.6 -36.77 68.2 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.756 0.822 . . . . 0.0 110.752 -175.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -73.6 -35.99 65.46 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.61 -25.7 65.89 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 123.934 0.894 . . . . 0.0 111.334 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.7 tmtm? -73.49 -46.13 49.83 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.54 0.736 . . . . 0.0 109.382 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.35 -41.54 93.76 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.027 0.931 . . . . 0.0 110.589 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.37 -46.91 87.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.16 1.784 . . . . 0.0 110.481 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -65.98 -53.64 36.37 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.568 1.147 . . . . 0.0 110.883 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.858 1.663 . . . . 0.0 111.827 -167.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -78.81 -34.57 45.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 123.364 0.665 . . . . 0.0 110.394 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.98 62.51 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.254 0.621 . . . . 0.0 112.651 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.3 m -74.6 -25.31 19.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 118.828 0.74 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -35.4 71.21 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.474 1.11 . . . . 0.0 109.767 175.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -90.38 2.89 55.13 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.398 0.679 . . . . 0.0 111.391 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -85.94 -72.92 0.47 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -116.87 13.14 14.94 Favored 'General case' 0 CA--C 1.503 -0.848 0 C-N-CA 123.882 0.873 . . . . 0.0 109.93 -170.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 69.51 56.57 0.35 Allowed 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.372 1.469 . . . . 0.0 109.664 -175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -101.52 -137.68 0.33 Allowed 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 -177.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.854 0 N-CA-C 106.816 -2.514 . . . . 0.0 106.816 179.63 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.975 0 P-O5'-C5' 117.6 -2.063 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.46 0 P-O5'-C5' 116.744 -2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 P-O5'-C5' 116.768 -2.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 P-O5'-C5' 116.31 -2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 P-O5'-C5' 116.376 -2.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.714 4.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 1 C4'-C3'-C2' 98.919 -4.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 109.877 2.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.982 0 P-O5'-C5' 117.905 -1.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.717 0 O5'-C5'-C4' 112.337 1.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.204 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.676 0 O4'-C1'-N19 109.894 2.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.197 0 N19-C1'-C2' 118.163 2.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 0 C5'-C4'-C3' 109.74 -3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.75 0 O5'-C5'-C4' 112.867 1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.424 0 P-O5'-C5' 115.416 -3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.343 0 P-O5'-C5' 116.025 -3.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 0 O4'-C1'-C2' 103.314 -2.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.42 H2'' ' C8 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.934 0 P-O5'-C5' 117.489 -2.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.42 ' C8 ' H2'' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.821 0 P-O5'-C5' 116.827 -2.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 P-O5'-C5' 117.911 -1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 P-O5'-C5' 116.13 -2.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.22 0 P-O5'-C5' 114.983 -3.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.732 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 0 C5'-C4'-C3' 112.429 -1.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.452 -0.931 0 N-CA-C 110.761 -0.515 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.01 158.18 25.22 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -91.11 166.55 12.92 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.14 67.76 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.494 1.118 . . . . 0.0 111.079 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.73 -35.29 78.48 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.19 0.996 . . . . 0.0 109.265 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -69.23 -36.63 77.4 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.75 1.22 . . . . 0.0 111.708 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.4 -37.56 83.3 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.988 1.315 . . . . 0.0 110.805 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -71.51 -35.77 70.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.865 0.866 . . . . 0.0 110.449 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.47 -37.81 88.82 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.799 0.84 . . . . 0.0 111.326 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -74.69 -37.4 62.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.846 0.858 . . . . 0.0 111.006 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 p -78.19 -38.22 43.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.312 0.645 . . . . 0.0 111.059 -175.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.53 -3.16 58.27 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 123.784 0.833 . . . . 0.0 111.644 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -57.92 -39.43 77.96 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 114.1 -168.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.0 -43.79 94.6 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.193 1.397 . . . . 0.0 110.697 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 -34.81 74.38 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.216 1.007 . . . . 0.0 111.358 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.13 -41.05 58.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 124.252 1.021 . . . . 0.0 109.824 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -7.08 56.2 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -175.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -79.94 -52.58 7.68 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.73 -41.9 43.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.491 0.717 . . . . 0.0 110.428 -170.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -91.73 132.0 34.27 Favored Pre-proline 0 C--N 1.353 0.754 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -81.1 91.85 1.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.971 2.447 . . . . 0.0 112.63 -163.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.14 31.24 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.9 tt -85.19 142.88 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 C-N-CA 124.485 1.114 . . . . 0.0 109.227 -168.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.86 162.88 13.73 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.5 -29.31 47.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 125.507 1.523 . . . . 0.0 113.325 -168.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.9 p -72.28 -29.91 64.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.709 1.204 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -87.67 -21.86 25.02 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.239 1.416 . . . . 0.0 109.775 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.4 t -73.47 -27.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 C-N-CA 124.559 1.144 . . . . 0.0 108.678 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.69 67.58 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.724 0.81 . . . . 0.0 112.13 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -71.3 -57.47 4.44 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 125.176 1.39 . . . . 0.0 109.911 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -76.26 -33.16 59.15 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 123.867 0.867 . . . . 0.0 110.776 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.42 -9.12 86.87 Favored Glycine 0 C--N 1.351 1.366 0 C-N-CA 124.082 0.848 . . . . 0.0 112.021 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -21.91 74.43 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.14 -44.18 39.53 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.837 1.255 . . . . 0.0 109.068 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -74.29 -35.35 63.72 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.74 1.216 . . . . 0.0 111.133 -174.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -56.68 -32.78 65.76 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 126.076 1.751 . . . . 0.0 112.744 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -60.5 -55.44 33.46 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 111.986 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.39 110.69 6.32 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -75.49 0.5 Allowed 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 175.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -136.5 -123.54 0.15 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -95.48 137.7 34.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -90.52 -25.88 20.03 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -67.98 -22.17 65.02 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 111.807 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.936 1.295 . . . . 0.0 109.665 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -81.87 -29.25 32.57 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.03 0.932 . . . . 0.0 110.642 -172.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -67.41 -37.25 82.78 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.811 1.244 . . . . 0.0 110.459 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.79 79.33 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.066 0.946 . . . . 0.0 110.792 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.87 -29.87 61.16 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.826 0.85 . . . . 0.0 111.174 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.41 63.89 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.952 0.901 . . . . 0.0 110.504 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.41 -40.3 67.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.633 1.173 . . . . 0.0 110.314 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.78 -37.38 81.99 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.918 0.887 . . . . 0.0 110.654 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.12 62.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.152 0.981 . . . . 0.0 111.966 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -72.16 -51.18 22.48 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.48 1.112 . . . . 0.0 109.527 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.13 -32.34 59.08 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.744 1.218 . . . . 0.0 110.602 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.75 -43.1 85.03 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.443 1.097 . . . . 0.0 109.348 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.88 -51.64 67.37 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.589 1.156 . . . . 0.0 110.015 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.03 -44.52 91.77 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.263 1.425 . . . . 0.0 112.048 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -73.59 -42.95 60.88 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 110.94 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.66 55.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 m -71.0 -22.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 119.138 0.881 . . . . 0.0 111.043 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.17 -41.2 86.35 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.873 0.869 . . . . 0.0 109.673 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.52 -36.67 52.2 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.384 1.074 . . . . 0.0 110.614 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.32 -46.88 72.2 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.149 1.78 . . . . 0.0 110.657 -175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.444 -0.733 0 C-N-CA 123.568 0.747 . . . . 0.0 111.017 -175.638 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo . . . . . 0 N--CA 1.451 -0.979 0 N-CA-C 108.444 -1.406 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -138.08 160.75 38.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.0 t -93.54 161.72 14.25 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.28 65.14 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 124.326 1.05 . . . . 0.0 110.397 -175.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -69.83 -35.87 75.12 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.709 1.204 . . . . 0.0 109.742 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.3 tpp -67.26 -34.62 77.82 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.824 1.25 . . . . 0.0 111.486 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.84 -36.43 75.56 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.935 1.294 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -74.32 -32.63 62.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.778 0.831 . . . . 0.0 110.386 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.6 -45.27 93.65 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.625 0.77 . . . . 0.0 112.152 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -74.15 -29.25 61.7 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.295 0.498 . . . . 0.0 112.234 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -81.01 -38.45 27.46 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.451 0.7 . . . . 0.0 110.413 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 3.12 48.42 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.734 0.814 . . . . 0.0 111.299 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -65.51 -37.04 85.62 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 125.27 1.428 . . . . 0.0 112.934 -169.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.59 -37.37 82.47 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.703 1.201 . . . . 0.0 111.256 -176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 m -71.3 -38.34 71.77 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.4 1.08 . . . . 0.0 110.839 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.48 -41.84 64.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.5 1.12 . . . . 0.0 109.373 -175.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.66 -11.22 60.13 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -77.05 -44.18 31.68 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.98 15.73 27.68 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.235 0.614 . . . . 0.0 111.063 -171.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -134.68 147.09 61.69 Favored Pre-proline 0 C--N 1.353 0.74 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -84.6 82.18 1.85 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.875 2.383 . . . . 0.0 112.119 -168.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.02 9.94 Favored Glycine 0 C--N 1.357 1.741 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 171.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.3 tt -87.2 144.15 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 C-N-CA 123.79 0.836 . . . . 0.0 109.258 -168.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -101.34 163.9 12.04 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.57 -23.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 125.603 1.561 . . . . 0.0 113.585 -164.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.1 p -68.68 -37.94 79.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.579 1.152 . . . . 0.0 110.736 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -94.57 -4.66 47.48 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.386 0.674 . . . . 0.0 110.656 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t -77.88 -33.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 167.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.4 -28.04 62.74 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.866 0.866 . . . . 0.0 110.793 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -70.71 -52.7 19.24 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.697 1.199 . . . . 0.0 109.778 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -77.49 -26.39 51.24 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.888 1.275 . . . . 0.0 111.087 -171.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.45 3.45 85.27 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.807 -0.558 . . . . 0.0 112.084 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.55 -34.72 49.0 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -73.75 -37.51 65.03 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.583 1.153 . . . . 0.0 109.342 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.71 -44.78 66.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.245 1.018 . . . . 0.0 111.031 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -56.77 -33.59 66.77 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.204 1.402 . . . . 0.0 112.679 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -57.83 -47.91 81.29 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.659 1.184 . . . . 0.0 111.551 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.57 109.04 3.61 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.34 -60.87 1.45 Allowed 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -148.67 -98.87 0.08 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -122.25 132.83 54.62 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -28.04 16.52 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.3 p -64.25 -21.25 66.52 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 112.847 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.69 -47.97 81.32 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.111 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -83.73 -30.66 26.52 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.608 1.163 . . . . 0.0 110.374 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -72.39 -28.22 62.86 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.577 1.151 . . . . 0.0 110.931 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.79 72.41 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.786 0.834 . . . . 0.0 110.268 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.19 -39.34 71.86 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 124.695 1.198 . . . . 0.0 110.456 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.73 68.44 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.622 1.169 . . . . 0.0 111.347 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.51 -37.34 71.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 124.121 0.968 . . . . 0.0 110.412 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -70.41 -38.21 74.57 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.842 0.857 . . . . 0.0 109.924 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.26 74.69 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.409 1.083 . . . . 0.0 111.459 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -71.48 -48.2 50.63 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 124.088 0.955 . . . . 0.0 109.376 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.56 -38.58 89.98 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.823 1.249 . . . . 0.0 110.948 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.35 -47.54 76.09 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.17 1.388 . . . . 0.0 109.411 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -60.39 -46.89 88.35 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.265 1.426 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.81 -45.39 92.5 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.305 1.842 . . . . 0.0 110.855 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -76.19 -39.88 53.69 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.236 1.015 . . . . 0.0 110.867 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.81 64.14 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 123.995 0.918 . . . . 0.0 113.036 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 m -71.05 -23.32 23.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-N 119.107 0.867 . . . . 0.0 111.27 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -69.27 -42.03 76.09 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.969 0.908 . . . . 0.0 109.378 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.31 -35.82 54.55 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.538 1.135 . . . . 0.0 110.53 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.89 -46.48 71.53 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.174 1.79 . . . . 0.0 110.371 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 N--CA 1.444 -0.734 0 C-N-CA 123.198 0.599 . . . . 0.0 111.071 -175.313 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 N--CA 1.449 -1.095 0 N-CA-C 108.943 -1.214 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.38 169.49 17.57 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.004 -2.961 . . . . 0.0 103.004 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -91.58 172.43 8.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.21 72.01 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.429 1.092 . . . . 0.0 109.906 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -70.02 -39.58 75.72 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.95 1.3 . . . . 0.0 109.648 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.4 tpp -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 111.82 -171.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.3 mt -67.35 -34.6 77.66 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.585 1.154 . . . . 0.0 111.262 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -72.67 -35.46 67.71 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.573 0.749 . . . . 0.0 110.215 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.22 -34.91 78.47 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.517 0.727 . . . . 0.0 111.18 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -76.77 -31.92 57.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 123.75 0.82 . . . . 0.0 110.957 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 p -79.8 -37.2 35.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.847 0.459 . . . . 0.0 110.428 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.57 14.77 14.03 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.734 0.814 . . . . 0.0 111.131 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -69.05 -40.83 78.31 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.552 1.141 . . . . 0.0 112.369 -168.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.8 -37.44 73.26 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.651 0.781 . . . . 0.0 110.738 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 m -66.85 -41.66 87.01 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.908 1.283 . . . . 0.0 111.506 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.53 -38.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.531 1.133 . . . . 0.0 109.089 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.06 -19.98 61.07 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -76.09 -45.97 31.32 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 118.937 0.789 . . . . 0.0 109.694 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -92.08 23.71 3.64 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.922 0.489 . . . . 0.0 111.7 -171.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -143.36 153.92 59.86 Favored Pre-proline 0 N--CA 1.441 -0.91 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 172.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -86.14 69.31 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.87 2.38 . . . . 0.0 111.532 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 70.37 1.27 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.8 tt -98.97 144.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 124.211 1.004 . . . . 0.0 109.063 -166.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -104.64 170.69 7.74 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.28 -35.44 74.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 C-N-CA 125.016 1.327 . . . . 0.0 114.354 -164.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.4 p -74.39 -27.34 60.6 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 109.954 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.2 -23.44 26.47 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.079 1.352 . . . . 0.0 109.805 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.7 t -71.52 -26.83 26.99 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 C-N-CA 125.22 1.408 . . . . 0.0 108.904 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.08 63.07 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.49 -0.756 . . . . 0.0 111.988 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -77.86 -57.21 3.92 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.717 1.207 . . . . 0.0 109.35 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -73.84 -35.61 64.83 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.715 1.206 . . . . 0.0 110.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.75 -11.21 84.22 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.903 0.763 . . . . 0.0 111.456 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 -26.22 62.62 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.99 -45.81 47.65 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.89 1.276 . . . . 0.0 109.562 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.28 -21.93 49.02 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 111.007 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -75.48 -38.24 59.69 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.982 1.313 . . . . 0.0 109.206 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -68.46 -46.72 69.03 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.689 0.796 . . . . 0.0 110.377 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.87 92.95 4.26 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -132.0 -150.63 0.43 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -87.74 -106.54 0.07 Allowed 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -115.95 158.24 23.34 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -88.92 -27.96 20.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.96 -25.48 65.24 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.74 2.416 . . . . 0.0 113.879 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.35 -43.49 96.43 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 126.225 1.81 . . . . 0.0 110.502 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -90.81 -31.51 16.46 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 124.942 1.297 . . . . 0.0 109.934 -172.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.59 -39.63 88.49 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.344 1.058 . . . . 0.0 111.276 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.99 80.1 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.986 0.914 . . . . 0.0 110.816 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -73.21 -35.53 66.34 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.229 1.012 . . . . 0.0 110.3 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.95 72.02 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.86 1.264 . . . . 0.0 111.431 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.22 -38.87 68.87 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.452 1.101 . . . . 0.0 110.721 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.72 -27.44 58.17 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.618 0.767 . . . . 0.0 110.599 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.42 62.83 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 123.991 0.916 . . . . 0.0 110.401 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.09 -35.51 59.33 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.575 1.15 . . . . 0.0 109.882 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 125.2 1.4 . . . . 0.0 109.587 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.41 -50.16 72.64 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.516 1.526 . . . . 0.0 109.782 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.59 -53.07 62.37 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.99 1.716 . . . . 0.0 111.292 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -60.43 -45.22 94.42 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.58 1.152 . . . . 0.0 111.195 -171.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -75.17 -36.46 61.49 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.285 0.634 . . . . 0.0 111.146 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.46 -30.15 62.99 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.108 0.963 . . . . 0.0 113.418 -172.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.38 -13.43 15.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 CA-C-N 118.75 0.705 . . . . 0.0 112.84 -173.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.04 -36.47 64.4 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.46 -30.44 33.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.477 1.111 . . . . 0.0 110.088 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -71.74 -52.27 18.57 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.495 1.518 . . . . 0.0 108.659 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.355 0.813 0 C-N-CA 124.165 0.986 . . . . 0.0 110.037 -177.749 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo . . . . . 0 CA--C 1.51 -0.686 0 CA-C-O 117.813 -0.994 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.58 107.57 5.93 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.465 1.03 . . . . 0.0 110.54 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p -156.91 100.93 1.92 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 103.412 -2.811 . . . . 0.0 103.412 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.75 56.2 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.795 0.838 . . . . 0.0 111.409 -169.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -69.55 -38.19 77.37 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.269 1.427 . . . . 0.0 110.026 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -26.03 63.01 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.282 -176.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.85 -39.84 72.7 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.76 0.824 . . . . 0.0 110.5 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -72.79 -31.9 65.19 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.487 1.115 . . . . 0.0 110.164 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -46.43 86.7 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.797 1.239 . . . . 0.0 110.943 -171.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -74.03 -24.61 59.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.177 0.591 . . . . 0.0 111.97 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -78.83 -45.91 19.83 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.033 0.933 . . . . 0.0 109.36 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.41 2.22 37.61 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.222 1.009 . . . . 0.0 111.509 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -63.57 -34.85 78.73 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.595 1.558 . . . . 0.0 112.533 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -75.11 -29.86 60.7 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.636 0.774 . . . . 0.0 112.214 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.5 p -77.77 -33.62 52.65 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.34 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 126.332 1.853 . . . . 0.0 110.999 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.85 -31.1 70.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.119 0.967 . . . . 0.0 111.84 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -87.35 -34.9 18.66 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 109.862 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.63 -56.87 5.47 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.844 1.258 . . . . 0.0 110.136 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.39 137.76 22.0 Favored Pre-proline 0 N--CA 1.442 -0.826 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -84.19 75.52 3.9 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.046 2.498 . . . . 0.0 111.427 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.13 63.01 2.62 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.4 tt -87.8 153.34 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -80.72 152.65 28.27 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.6 -21.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 124.233 1.013 . . . . 0.0 113.155 -166.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 p -79.97 -28.79 39.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 123.919 0.887 . . . . 0.0 109.798 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.6 -8.28 58.95 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 110.839 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.29 -34.07 56.97 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 C-N-CA 124.638 1.175 . . . . 0.0 108.568 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.35 79.23 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.734 0.814 . . . . 0.0 111.171 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.71 -52.31 57.79 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.946 1.298 . . . . 0.0 111.309 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.58 -16.67 47.61 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.617 0.767 . . . . 0.0 111.114 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.86 -14.73 80.47 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 123.813 0.72 . . . . 0.0 112.057 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.04 63.34 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -74.96 -36.8 62.07 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.486 1.114 . . . . 0.0 109.385 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.58 -22.78 46.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.621 1.169 . . . . 0.0 110.926 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -75.75 -38.73 58.14 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.146 0.979 . . . . 0.0 108.664 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -65.45 -55.26 18.95 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.252 1.021 . . . . 0.0 110.134 -174.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.55 86.1 2.35 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.8 ttm -116.02 -142.82 0.38 Allowed 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -104.67 -99.85 0.32 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 173.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -107.94 140.52 40.95 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -94.81 -20.35 19.54 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 171.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.9 m -60.07 -30.38 69.18 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.169 2.188 . . . . 0.0 113.588 -171.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.97 -46.75 73.69 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.872 1.269 . . . . 0.0 109.396 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -72.41 -34.5 67.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.815 1.246 . . . . 0.0 111.396 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.38 -36.66 68.76 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.496 1.118 . . . . 0.0 110.824 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.39 -30.03 61.79 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.04 0.936 . . . . 0.0 110.757 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -77.31 -29.02 53.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.401 1.081 . . . . 0.0 110.016 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.51 61.02 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.237 1.015 . . . . 0.0 110.055 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.01 -31.71 68.3 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.187 0.995 . . . . 0.0 110.928 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -66.89 -37.18 83.9 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.453 1.101 . . . . 0.0 110.472 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -16.78 63.12 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.146 0.978 . . . . 0.0 112.344 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -75.61 -40.37 56.49 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 124.171 0.988 . . . . 0.0 108.769 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -69.05 -41.92 76.98 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.027 0.931 . . . . 0.0 109.496 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.56 -31.33 72.31 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.352 1.061 . . . . 0.0 111.504 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -64.96 -39.18 93.1 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 110.112 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.24 -35.5 78.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.571 1.148 . . . . 0.0 110.835 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -83.58 -24.94 31.3 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.893 0.477 . . . . 0.0 110.429 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.68 59.51 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.403 1.081 . . . . 0.0 111.656 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.8 m -73.79 -14.95 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 C-N-CA 122.907 0.483 . . . . 0.0 111.608 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -69.12 -47.06 66.1 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.866 0.866 . . . . 0.0 109.174 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -73.58 -29.69 62.55 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.558 1.143 . . . . 0.0 110.952 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.74 -50.73 63.72 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.578 1.551 . . . . 0.0 109.813 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.444 -0.74 0 C-N-CA 123.178 0.591 . . . . 0.0 111.623 -174.855 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo . . . . . 0 N--CA 1.45 -1.043 0 N-CA-C 109.167 -1.128 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.56 -173.18 3.35 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.697 -2.335 . . . . 0.0 104.697 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -125.02 170.51 11.08 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.96 69.09 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.828 1.251 . . . . 0.0 110.612 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -71.01 -33.17 70.11 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.675 1.19 . . . . 0.0 109.678 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -39.32 78.38 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.681 1.192 . . . . 0.0 111.013 -173.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -68.51 -39.95 81.04 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.19 1.396 . . . . 0.0 110.572 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -70.13 -34.81 73.53 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.127 0.971 . . . . 0.0 110.966 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.09 -37.85 86.79 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.371 0.668 . . . . 0.0 111.221 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.18 -27.53 53.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 123.479 0.712 . . . . 0.0 110.321 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -77.17 -58.28 3.37 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.102 0.961 . . . . 0.0 109.135 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.37 53.09 1.14 Allowed 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.302 1.041 . . . . 0.0 108.841 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -93.18 -44.33 8.4 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -74.2 -28.52 61.31 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.528 1.531 . . . . 0.0 110.619 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 p -73.77 -32.49 63.83 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.945 0.898 . . . . 0.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.89 -45.23 77.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.309 1.044 . . . . 0.0 109.077 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -74.15 -14.72 61.0 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -74.61 -48.51 26.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.555 0.742 . . . . 0.0 109.208 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -95.51 26.88 3.65 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.359 0.664 . . . . 0.0 111.011 -172.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.74 152.19 78.39 Favored Pre-proline 0 N--CA 1.443 -0.788 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 171.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -86.42 61.08 4.6 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.368 2.712 . . . . 0.0 111.046 -172.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 65.27 1.64 Allowed Glycine 0 C--N 1.351 1.414 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 tt -87.29 148.55 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -87.64 162.78 16.93 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 m -71.97 -26.17 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 C-N-CA 124.37 1.068 . . . . 0.0 112.578 -167.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.9 m -78.66 -31.34 46.72 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.194 0.997 . . . . 0.0 108.776 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -80.23 -4.67 54.13 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.706 1.202 . . . . 0.0 111.794 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.43 -30.15 38.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 124.345 1.058 . . . . 0.0 108.551 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.46 -11.27 59.83 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.888 0.875 . . . . 0.0 111.86 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -92.68 -55.25 3.45 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -75.43 -27.25 58.89 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.381 0.672 . . . . 0.0 110.946 -170.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.66 -4.17 87.58 Favored Glycine 0 C--N 1.352 1.463 0 C-N-CA 123.632 0.634 . . . . 0.0 112.023 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.46 -25.76 60.5 Favored Glycine 0 C--N 1.355 1.597 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -72.45 -43.52 63.66 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.161 1.385 . . . . 0.0 108.757 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -79.64 -19.87 48.12 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.399 1.48 . . . . 0.0 111.358 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -79.81 -40.97 27.43 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.491 1.117 . . . . 0.0 109.024 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -70.18 -47.77 60.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.307 0.643 . . . . 0.0 109.728 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.73 82.65 2.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -123.22 -149.13 0.42 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.41 -111.26 0.18 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.07 153.04 20.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -109.51 1.83 20.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.6 p -68.23 -30.47 69.53 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.83 1.652 . . . . 0.0 112.473 -171.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.93 -41.88 81.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.089 1.356 . . . . 0.0 110.435 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -85.73 -34.19 21.29 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 124.181 0.992 . . . . 0.0 110.645 -168.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -76.83 -26.75 54.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 122.784 0.434 . . . . 0.0 111.036 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.08 -32.01 50.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.926 0.89 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.04 -40.28 62.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.164 1.386 . . . . 0.0 109.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.53 69.09 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.873 1.269 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.58 -26.98 61.91 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.705 1.202 . . . . 0.0 111.505 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -70.65 -43.91 68.19 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.73 -20.48 62.64 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.131 0.972 . . . . 0.0 111.649 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -76.01 -43.03 46.17 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.093 1.357 . . . . 0.0 109.698 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.96 -47.29 46.72 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.615 1.166 . . . . 0.0 109.085 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.515 1.126 . . . . 0.0 111.739 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.71 -58.54 3.55 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.63 -38.43 87.64 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.511 1.524 . . . . 0.0 111.529 -172.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -70.24 -46.88 63.54 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.433 1.093 . . . . 0.0 110.581 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.9 -33.29 62.01 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 123.282 0.633 . . . . 0.0 112.606 -171.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 m -69.03 -26.5 32.42 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 119.163 0.892 . . . . 0.0 111.141 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -69.38 -42.43 75.18 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.747 0.819 . . . . 0.0 109.603 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.06 -33.28 51.0 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.884 1.273 . . . . 0.0 110.603 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.01 -49.29 62.46 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.103 1.761 . . . . 0.0 109.814 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 N--CA 1.443 -0.795 0 C-N-CA 123.68 0.792 . . . . 0.0 111.392 -174.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 109.81 -0.881 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp 55.75 91.33 0.03 OUTLIER 'General case' 0 C--N 1.357 0.934 0 C-N-CA 127.361 2.265 . . . . 0.0 112.599 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -88.8 153.97 20.65 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.81 74.0 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.439 1.095 . . . . 0.0 110.953 -174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.89 -36.99 75.88 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.024 1.33 . . . . 0.0 109.775 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 tpp -69.56 -33.85 73.35 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.272 1.029 . . . . 0.0 111.231 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.2 -31.96 64.5 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.133 0.973 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -73.4 -33.69 65.13 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.677 0.791 . . . . 0.0 110.117 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.7 -41.27 98.13 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -74.83 -24.16 58.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 118.798 0.726 . . . . 0.0 111.691 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -76.91 -46.77 23.13 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.346 1.058 . . . . 0.0 108.742 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.74 58.4 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.319 1.047 . . . . 0.0 112.142 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -50.41 -48.57 56.03 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.372 2.269 . . . . 0.0 113.121 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.43 -35.58 75.83 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.612 1.165 . . . . 0.0 111.195 -169.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.0 m -72.3 -38.37 68.76 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.438 1.095 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.14 -36.7 74.47 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 125.078 1.351 . . . . 0.0 109.915 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -80.47 -4.75 54.98 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -83.1 -36.46 24.82 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.34 -53.64 6.15 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.27 1.028 . . . . 0.0 109.665 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -87.59 143.0 33.27 Favored Pre-proline 0 N--CA 1.443 -0.775 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 -175.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -81.13 86.69 1.58 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.013 2.475 . . . . 0.0 112.455 -162.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 50.61 37.77 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 tt -85.23 142.39 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 123.884 0.874 . . . . 0.0 109.055 -169.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -93.66 161.69 14.24 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.23 -21.74 26.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -166.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 p -73.16 -30.11 63.34 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.856 1.262 . . . . 0.0 110.035 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -94.19 -17.29 22.87 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 125.469 1.508 . . . . 0.0 109.354 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -73.43 -24.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 124.82 1.248 . . . . 0.0 108.246 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.58 68.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.433 -0.792 . . . . 0.0 111.6 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -71.62 -52.4 18.19 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.016 0.926 . . . . 0.0 109.803 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -75.92 -36.77 59.28 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.048 0.939 . . . . 0.0 110.536 -172.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.81 -7.26 87.55 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 124.393 0.997 . . . . 0.0 111.951 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.43 -27.56 59.26 Favored Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.83 -37.15 41.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.279 1.432 . . . . 0.0 108.985 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.86 -29.48 58.55 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.722 1.209 . . . . 0.0 111.188 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -72.96 -36.48 67.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.928 1.291 . . . . 0.0 109.71 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 -66.51 -48.2 70.52 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.463 1.105 . . . . 0.0 110.528 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.85 81.99 1.55 Allowed 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -113.84 -137.91 0.37 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -114.02 -120.93 0.3 Allowed 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 104.041 -2.577 . . . . 0.0 104.041 173.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -90.61 153.16 20.53 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -106.4 -2.71 21.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -63.02 -33.18 74.88 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.067 2.147 . . . . 0.0 111.48 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.86 -45.67 92.77 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.435 1.494 . . . . 0.0 111.072 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -82.82 -29.83 29.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.308 1.043 . . . . 0.0 111.093 -170.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.77 -33.84 62.35 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.777 0.831 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.81 -26.19 59.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.199 1.0 . . . . 0.0 110.765 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -75.7 -35.28 60.35 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.975 0.91 . . . . 0.0 109.049 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.89 4.67 24.65 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.79 1.236 . . . . 0.0 111.602 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.8 48.77 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.645 0.778 . . . . 0.0 109.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -77.77 -18.13 56.77 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.129 0.972 . . . . 0.0 110.502 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.2 45.83 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 123.111 0.564 . . . . 0.0 109.9 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.6 -39.9 57.24 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.07 1.348 . . . . 0.0 108.153 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.12 -42.11 89.61 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.378 1.471 . . . . 0.0 109.944 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.16 -23.35 59.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.463 1.105 . . . . 0.0 111.155 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.93 -40.81 94.61 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.14 -46.87 87.23 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.639 1.576 . . . . 0.0 110.711 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -79.39 -30.52 42.52 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.494 0.718 . . . . 0.0 110.697 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.1 67.9 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.025 1.33 . . . . 0.0 111.826 -175.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.31 -19.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 C-N-CA 122.773 0.429 . . . . 0.0 111.881 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -74.13 -34.16 63.8 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.726 0.81 . . . . 0.0 110.099 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -82.27 -31.25 30.18 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.851 0.86 . . . . 0.0 110.218 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -69.64 -52.12 28.75 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.599 1.56 . . . . 0.0 110.118 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 110.817 -174.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 CA-C-O 119.158 -0.434 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.4 139.91 17.83 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -171.83 127.34 0.61 Allowed 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.16 -37.98 25.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 123.197 0.599 . . . . 0.0 110.302 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.02 -39.36 83.16 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.441 1.496 . . . . 0.0 110.488 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 tpp -73.28 -28.96 62.41 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 123.029 0.532 . . . . 0.0 111.739 -169.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.99 -32.59 65.26 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.278 1.031 . . . . 0.0 110.53 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -72.02 -31.16 65.93 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.492 1.117 . . . . 0.0 110.302 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.91 -26.92 64.39 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.536 0.734 . . . . 0.0 111.406 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -77.18 -29.81 54.59 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.498 0.719 . . . . 0.0 109.95 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.4 t -75.03 -45.23 43.08 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.294 1.037 . . . . 0.0 109.371 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.85 8.39 23.11 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.127 0.971 . . . . 0.0 111.686 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -66.76 -39.62 87.95 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.844 1.258 . . . . 0.0 111.757 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -65.64 -48.06 73.48 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.011 1.324 . . . . 0.0 110.16 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -66.99 -43.23 83.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.727 1.211 . . . . 0.0 112.237 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.3 -32.78 59.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 125.091 1.356 . . . . 0.0 110.967 -174.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -63.98 -42.57 97.2 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.133 0.973 . . . . 0.0 112.258 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.5 -31.38 24.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 C-N-CA 122.285 0.234 . . . . 0.0 111.14 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.62 -54.62 9.81 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.726 0.811 . . . . 0.0 110.684 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.86 137.6 33.44 Favored Pre-proline 0 C--N 1.353 0.726 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.78 91.25 1.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.171 2.58 . . . . 0.0 112.201 -163.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.27 50.2 13.15 Favored Glycine 0 C--N 1.354 1.558 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 tt -84.65 144.67 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -88.44 157.57 18.63 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -72.9 -19.99 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 C-N-CA 124.668 1.187 . . . . 0.0 112.667 -168.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.2 p -78.54 -30.25 46.87 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.173 0.989 . . . . 0.0 109.769 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.4 -4.27 59.11 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.572 1.149 . . . . 0.0 111.03 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.76 -27.59 28.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 125.088 1.355 . . . . 0.0 108.452 173.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -13.38 60.07 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.734 0.813 . . . . 0.0 111.9 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -86.12 -58.04 2.79 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -71.06 -31.08 67.39 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.758 1.223 . . . . 0.0 111.776 -169.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.85 -7.03 87.84 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.48 -25.27 57.2 Favored Glycine 0 C--N 1.355 1.587 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.04 -37.67 66.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.37 1.468 . . . . 0.0 108.945 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.16 -28.83 31.91 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.046 1.338 . . . . 0.0 111.12 -176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.02 -34.07 68.54 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.672 1.189 . . . . 0.0 109.997 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -45.44 78.27 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.881 0.873 . . . . 0.0 110.022 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.03 73.35 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -117.59 -139.97 0.36 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -117.21 -124.09 0.29 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -91.95 160.55 15.21 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.775 0.83 . . . . 0.0 108.91 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -3.6 49.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.05 0.94 . . . . 0.0 108.481 174.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 t -63.38 -30.79 71.86 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 126.497 1.919 . . . . 0.0 112.16 -170.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.9 -44.06 90.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.284 1.033 . . . . 0.0 110.712 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.69 -31.35 22.52 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.785 0.834 . . . . 0.0 111.997 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -79.21 -25.02 42.73 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.542 0.61 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.04 -29.91 55.42 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 123.819 0.848 . . . . 0.0 109.847 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -77.08 -26.3 53.29 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.201 1.001 . . . . 0.0 109.761 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.79 -6.94 57.25 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.536 1.134 . . . . 0.0 111.413 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.33 -20.95 54.16 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.874 0.869 . . . . 0.0 110.314 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -70.41 -35.96 73.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.482 1.113 . . . . 0.0 108.791 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.88 63.63 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.565 1.146 . . . . 0.0 112.301 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.329 1.051 . . . . 0.0 109.863 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.69 -28.65 60.91 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.872 1.269 . . . . 0.0 109.512 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.69 -37.49 67.85 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 109.625 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -64.38 -34.83 79.08 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 126.603 1.961 . . . . 0.0 110.761 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.34 -39.54 83.5 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.599 1.56 . . . . 0.0 111.138 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -83.48 -36.07 24.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -32.03 72.23 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 112.96 -172.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.04 -22.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 O-C-N 121.96 -0.462 . . . . 0.0 111.59 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -74.0 -32.88 63.59 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 121.644 -0.66 . . . . 0.0 110.078 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.86 -39.09 64.21 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.288 1.035 . . . . 0.0 109.88 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -65.97 -48.8 70.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.966 1.706 . . . . 0.0 110.473 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 C--N 1.353 0.724 0 C-N-CA 122.994 0.518 . . . . 0.0 111.221 -173.259 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.45 -1.043 0 N-CA-C 108.663 -1.322 . . . . 0.0 108.663 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 mt -139.37 158.74 43.62 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 t -115.54 160.06 20.44 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.06 72.65 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.651 1.18 . . . . 0.0 110.696 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.01 -40.51 78.64 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.764 1.226 . . . . 0.0 109.682 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.7 mmm -78.03 -21.71 50.31 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 122.909 0.484 . . . . 0.0 112.1 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 mt -76.79 -34.07 58.0 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.565 0.746 . . . . 0.0 110.324 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -73.68 -28.17 61.61 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 123.635 0.774 . . . . 0.0 109.628 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.744 1.218 . . . . 0.0 111.35 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -76.09 -29.29 57.88 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.32 0.648 . . . . 0.0 112.12 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -78.77 -36.7 42.59 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 122.844 0.457 . . . . 0.0 109.792 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.03 14.51 17.54 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.805 0.842 . . . . 0.0 110.736 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -77.69 -37.64 49.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.254 -0.904 . . . . 0.0 109.438 -175.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.46 -30.85 67.78 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.723 1.209 . . . . 0.0 112.04 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -75.16 -47.27 29.26 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 122.877 0.471 . . . . 0.0 110.011 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.73 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.187 1.395 . . . . 0.0 110.931 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -18.9 60.58 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -93.18 -35.25 13.25 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.677 0.671 . . . . 0.0 109.926 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.08 -46.88 61.0 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.661 0.784 . . . . 0.0 110.447 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -88.67 141.75 30.33 Favored Pre-proline 0 C--N 1.352 0.706 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.14 80.73 2.54 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.968 2.445 . . . . 0.0 111.637 -165.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.37 56.97 4.87 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 175.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 tt -80.87 148.26 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -81.58 154.73 26.05 Favored 'General case' 0 CA--C 1.501 -0.924 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.09 -28.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 125.125 1.37 . . . . 0.0 111.641 -168.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -71.35 -32.68 68.81 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.806 1.243 . . . . 0.0 110.447 175.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -86.14 -2.57 58.47 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.056 0.942 . . . . 0.0 111.114 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -76.34 -34.26 25.01 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.84 -16.42 60.07 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.036 0.934 . . . . 0.0 111.21 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -83.19 -47.98 11.0 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -41.14 63.47 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.348 1.459 . . . . 0.0 110.711 -170.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.7 -0.21 79.53 Favored Glycine 0 C--N 1.353 1.504 0 C-N-CA 124.159 0.885 . . . . 0.0 113.44 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.34 -25.78 67.5 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -75.29 -36.03 61.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 110.147 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.57 -27.62 51.49 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.1 0.96 . . . . 0.0 110.438 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -74.76 -27.58 60.4 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.315 1.046 . . . . 0.0 110.795 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -67.94 -43.73 78.44 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.891 0.876 . . . . 0.0 110.048 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 23.93 4.73 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.802 0.841 . . . . 0.0 110.843 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -52.33 5.76 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 82.89 -71.79 0.04 OUTLIER 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.519 1.928 . . . . 0.0 111.961 170.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.68 77.35 7.92 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -94.51 6.12 49.76 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.413 1.485 . . . . 0.0 110.42 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -62.27 -26.2 68.27 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.66 1.984 . . . . 0.0 113.42 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.33 -48.0 81.75 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.078 1.351 . . . . 0.0 110.63 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -82.31 -30.1 30.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.206 1.002 . . . . 0.0 110.549 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.38 -34.34 70.32 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.418 1.087 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.33 73.01 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.967 0.907 . . . . 0.0 110.552 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.72 -40.45 69.46 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.316 1.046 . . . . 0.0 110.144 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.61 75.45 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 125.303 1.441 . . . . 0.0 111.683 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.56 73.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 124.454 1.102 . . . . 0.0 110.542 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.38 -36.87 79.79 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.761 0.824 . . . . 0.0 110.522 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.51 70.58 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.295 1.038 . . . . 0.0 112.079 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -74.33 -47.28 35.44 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.026 0.931 . . . . 0.0 110.129 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -70.62 -39.91 73.46 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 123.669 0.788 . . . . 0.0 111.366 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -69.89 -30.58 68.05 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.693 0.797 . . . . 0.0 110.554 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -69.15 -54.34 15.42 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.586 0.755 . . . . 0.0 109.465 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.12 -44.73 83.57 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.2 1.8 . . . . 0.0 111.969 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -75.15 -43.33 53.04 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 123.295 0.638 . . . . 0.0 110.653 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.83 62.79 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -170.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.79 -23.8 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.349 0.977 . . . . 0.0 111.509 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.35 -31.98 60.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.331 0.652 . . . . 0.0 109.862 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.41 -35.93 39.88 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.639 1.176 . . . . 0.0 109.859 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -67.44 -53.36 29.64 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 126.616 1.966 . . . . 0.0 109.897 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 C--N 1.354 0.771 0 C-N-CA 124.264 1.026 . . . . 0.0 111.528 -174.245 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.452 -0.937 0 CA-C-O 119.125 -0.448 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.77 132.07 13.68 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 168.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 t -165.43 122.81 1.51 Allowed 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 101.51 -3.515 . . . . 0.0 101.51 171.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -31.14 32.67 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 123.42 0.688 . . . . 0.0 110.601 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -68.99 -40.88 78.48 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.145 1.378 . . . . 0.0 109.615 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 tpp -68.07 -32.14 72.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.201 1.001 . . . . 0.0 112.203 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.04 -31.98 63.13 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.219 1.008 . . . . 0.0 110.859 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -72.91 -32.62 65.46 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.967 0.907 . . . . 0.0 110.277 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.1 mt -66.27 -40.14 89.9 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 123.658 0.783 . . . . 0.0 112.489 -175.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -76.94 -24.55 52.4 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.387 0.54 . . . . 0.0 111.138 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.8 t -77.64 -52.49 8.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.875 0.87 . . . . 0.0 108.929 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 28.37 1.91 Allowed 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.061 0.944 . . . . 0.0 110.625 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -73.48 -29.25 62.4 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.912 0.885 . . . . 0.0 110.106 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.2 -23.83 62.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.051 1.34 . . . . 0.0 111.608 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 m -79.15 -48.08 14.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.592 0.757 . . . . 0.0 109.053 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.37 -36.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 C-N-CA 126.301 1.841 . . . . 0.0 111.141 -171.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -75.51 -13.62 60.37 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -91.25 -35.2 14.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.01 -50.88 13.6 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.489 1.116 . . . . 0.0 109.696 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -96.33 147.74 33.41 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -83.88 76.59 3.63 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.922 2.415 . . . . 0.0 111.764 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.22 60.52 4.4 Favored Glycine 0 C--N 1.356 1.691 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 tt -92.91 144.74 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -99.72 167.73 10.37 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.2 m -67.67 -27.13 37.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 124.753 1.221 . . . . 0.0 113.547 -167.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 p -75.61 -28.03 58.7 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.468 1.107 . . . . 0.0 109.919 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -88.53 -21.45 24.11 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.0 1.32 . . . . 0.0 109.965 -176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.42 -25.8 21.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 124.789 1.235 . . . . 0.0 109.101 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.79 65.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.844 0.857 . . . . 0.0 111.61 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -87.21 52.33 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.339 1.056 . . . . 0.0 109.294 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 57.78 46.07 17.68 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.233 2.213 . . . . 0.0 112.417 172.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.14 -25.14 20.38 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.33 -62.55 2.06 Favored Glycine 0 C--N 1.355 1.605 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.372 11.3 pt-20 66.01 -27.45 0.11 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 129.632 3.173 . . . . 0.0 116.57 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.0 mt -75.07 -8.38 56.39 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 125.902 1.681 . . . . 0.0 111.024 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -70.79 -34.74 72.09 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.665 1.586 . . . . 0.0 110.374 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.607 0.763 . . . . 0.0 110.438 -167.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.58 87.72 2.78 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 170.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.7 tmm? -106.52 -92.91 0.39 Allowed 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -145.53 -91.51 0.1 Allowed 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 102.875 -3.009 . . . . 0.0 102.875 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -128.36 179.81 5.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.32 -2.02 16.92 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.6 m -60.65 -33.35 72.68 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.627 1.971 . . . . 0.0 113.259 -168.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.83 -45.24 86.98 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.366 1.466 . . . . 0.0 111.083 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -82.29 -28.86 31.5 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 124.354 1.062 . . . . 0.0 110.643 -170.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -73.51 -28.78 62.09 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.275 1.03 . . . . 0.0 110.273 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.07 59.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.193 0.997 . . . . 0.0 110.867 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.96 -25.35 52.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.49 0.716 . . . . 0.0 110.365 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.29 59.94 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.986 0.915 . . . . 0.0 111.151 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.22 57.15 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.939 0.896 . . . . 0.0 109.873 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -71.95 -29.16 63.99 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.91 0.884 . . . . 0.0 110.604 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.32 60.64 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.02 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -84.47 -30.97 24.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.722 1.209 . . . . 0.0 109.229 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -74.15 -36.6 64.13 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.88 0.872 . . . . 0.0 109.088 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -75.88 -21.28 57.33 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.264 1.026 . . . . 0.0 110.216 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -68.02 -42.15 81.07 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.309 1.044 . . . . 0.0 109.205 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.8 -35.68 81.37 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 124.83 1.252 . . . . 0.0 110.415 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -71.43 -45.91 61.43 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.088 0.955 . . . . 0.0 110.126 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.68 91.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 125.049 1.34 . . . . 0.0 112.932 -172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.97 -14.88 16.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 122.923 0.489 . . . . 0.0 111.677 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.58 -47.41 40.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.523 0.729 . . . . 0.0 109.612 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.23 -24.0 54.59 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.597 0.759 . . . . 0.0 110.851 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -67.83 -47.46 68.94 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.422 1.489 . . . . 0.0 110.146 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.444 -0.746 0 C-N-CA 123.087 0.555 . . . . 0.0 110.821 -176.424 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HB3' ' HA ' ' A' ' 60' ' ' LYS . 75.0 Cg_endo . . . . . 0 N--CA 1.448 -1.186 0 N-CA-C 108.137 -1.524 . . . . 0.0 108.137 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -142.91 174.81 10.34 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 p -103.71 168.29 9.24 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.63 -31.79 62.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 124.118 0.967 . . . . 0.0 110.0 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.14 -41.28 77.51 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.158 1.383 . . . . 0.0 109.717 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 tpp -66.26 -32.89 74.58 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.673 1.189 . . . . 0.0 111.921 -173.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.87 -30.34 66.69 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.779 1.232 . . . . 0.0 111.754 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -77.96 -27.34 49.22 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 123.198 0.599 . . . . 0.0 110.412 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.4 -34.58 77.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 123.294 0.638 . . . . 0.0 112.095 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -82.41 -22.84 35.16 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.09 0.404 . . . . 0.0 111.909 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -83.06 -39.54 21.05 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.492 0.587 . . . . 0.0 109.828 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.24 8.31 33.81 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.871 0.868 . . . . 0.0 111.088 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.51 -43.89 96.58 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.23 1.812 . . . . 0.0 112.236 -171.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.16 -23.64 63.02 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.831 0.852 . . . . 0.0 112.915 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -77.32 -47.49 19.86 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.19 -37.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 125.958 1.703 . . . . 0.0 111.552 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -70.82 -22.26 62.36 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -88.81 -43.88 10.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.18 -47.01 60.09 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 124.314 1.045 . . . . 0.0 110.595 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.31 139.73 22.12 Favored Pre-proline 0 N--CA 1.442 -0.838 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -82.65 88.1 1.29 Allowed 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.826 2.351 . . . . 0.0 112.879 -163.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 48.92 25.2 Favored Glycine 0 C--N 1.358 1.779 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 170.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.0 tt -86.59 140.06 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 125.001 1.32 . . . . 0.0 110.099 -164.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -93.19 162.97 13.8 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.71 -20.94 26.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 125.259 1.424 . . . . 0.0 114.116 -166.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.3 p -78.24 -24.16 47.08 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.483 1.113 . . . . 0.0 109.899 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.86 -25.16 17.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 125.394 1.478 . . . . 0.0 109.072 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.13 -27.16 31.33 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 125.253 1.421 . . . . 0.0 108.424 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.62 71.03 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.535 0.734 . . . . 0.0 111.508 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -81.94 -52.4 7.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.02 0.528 . . . . 0.0 110.72 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -74.71 -29.27 61.13 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 121.729 -0.607 . . . . 0.0 112.115 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.07 -11.63 82.19 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.22 -25.22 62.0 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.3 -40.41 64.55 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.377 1.071 . . . . 0.0 109.473 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.86 -29.92 56.06 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.261 1.025 . . . . 0.0 110.78 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -70.34 -37.49 74.67 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.156 0.582 . . . . 0.0 110.112 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -59.71 -54.98 40.01 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.861 1.264 . . . . 0.0 111.173 -172.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.85 110.42 17.18 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ptp -134.55 -154.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -88.99 -100.69 0.09 Allowed 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.23 138.54 50.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 10.92 26.16 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 124.471 1.108 . . . . 0.0 108.571 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -59.6 -29.51 68.02 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.509 1.924 . . . . 0.0 113.472 -172.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -64.97 -45.06 87.24 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.198 1.399 . . . . 0.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -83.1 -33.06 26.43 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 124.467 1.107 . . . . 0.0 110.305 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.67 -40.24 80.26 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 124.423 1.089 . . . . 0.0 110.586 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.09 -40.98 82.52 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.933 0.893 . . . . 0.0 111.055 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.01 -45.05 64.64 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.376 1.07 . . . . 0.0 110.41 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.06 89.86 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.035 1.334 . . . . 0.0 112.158 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.6 -36.77 68.2 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.756 0.822 . . . . 0.0 110.752 -175.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -73.6 -35.99 65.46 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.61 -25.7 65.89 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 123.934 0.894 . . . . 0.0 111.334 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 9.7 tmtm? -73.49 -46.13 49.83 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.54 0.736 . . . . 0.0 109.382 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.35 -41.54 93.76 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.027 0.931 . . . . 0.0 110.589 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.37 -46.91 87.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.16 1.784 . . . . 0.0 110.481 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -65.98 -53.64 36.37 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.568 1.147 . . . . 0.0 110.883 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.858 1.663 . . . . 0.0 111.827 -167.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -78.81 -34.57 45.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 123.364 0.665 . . . . 0.0 110.394 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.98 62.51 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.254 0.621 . . . . 0.0 112.651 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.3 m -74.6 -25.31 19.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 118.828 0.74 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -35.4 71.21 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.474 1.11 . . . . 0.0 109.767 175.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -90.38 2.89 55.13 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.398 0.679 . . . . 0.0 111.391 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -85.94 -72.92 0.47 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 CA--C 1.503 -0.848 0 C-N-CA 123.882 0.873 . . . . 0.0 109.93 -170.067 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -93.45 78.8 4.39 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.68 174.03 15.87 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 -175.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -150.02 139.41 13.15 Favored Pre-proline 0 N--CA 1.436 -1.144 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.91 164.55 31.51 Favored 'Trans proline' 0 CA--C 1.508 -0.814 0 C-N-CA 122.644 2.23 . . . . 0.0 110.457 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -103.17 153.5 20.28 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -83.5 155.11 66.01 Favored Pre-proline 0 N--CA 1.442 -0.874 0 C-N-CA 124.081 0.952 . . . . 0.0 109.016 -171.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -81.97 100.66 1.09 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.052 2.502 . . . . 0.0 110.761 -172.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.01 158.18 25.22 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -91.11 166.55 12.92 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.14 67.76 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.494 1.118 . . . . 0.0 111.079 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.73 -35.29 78.48 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.19 0.996 . . . . 0.0 109.265 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -69.23 -36.63 77.4 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.75 1.22 . . . . 0.0 111.708 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.4 -37.56 83.3 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.988 1.315 . . . . 0.0 110.805 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -71.51 -35.77 70.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.865 0.866 . . . . 0.0 110.449 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.47 -37.81 88.82 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.799 0.84 . . . . 0.0 111.326 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -74.69 -37.4 62.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.846 0.858 . . . . 0.0 111.006 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 p -78.19 -38.22 43.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.312 0.645 . . . . 0.0 111.059 -175.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.53 -3.16 58.27 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 123.784 0.833 . . . . 0.0 111.644 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -57.92 -39.43 77.96 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 114.1 -168.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.0 -43.79 94.6 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.193 1.397 . . . . 0.0 110.697 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 -34.81 74.38 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.216 1.007 . . . . 0.0 111.358 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.13 -41.05 58.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 124.252 1.021 . . . . 0.0 109.824 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -7.08 56.2 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -175.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -79.94 -52.58 7.68 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.73 -41.9 43.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.491 0.717 . . . . 0.0 110.428 -170.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -91.73 132.0 34.27 Favored Pre-proline 0 C--N 1.353 0.754 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -81.1 91.85 1.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.971 2.447 . . . . 0.0 112.63 -163.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.14 31.24 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.9 tt -85.19 142.88 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 C-N-CA 124.485 1.114 . . . . 0.0 109.227 -168.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.86 162.88 13.73 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.5 -29.31 47.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 125.507 1.523 . . . . 0.0 113.325 -168.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.9 p -72.28 -29.91 64.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.709 1.204 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -87.67 -21.86 25.02 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.239 1.416 . . . . 0.0 109.775 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.4 t -73.47 -27.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 C-N-CA 124.559 1.144 . . . . 0.0 108.678 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.69 67.58 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.724 0.81 . . . . 0.0 112.13 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -71.3 -57.47 4.44 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 125.176 1.39 . . . . 0.0 109.911 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -76.26 -33.16 59.15 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 123.867 0.867 . . . . 0.0 110.776 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.42 -9.12 86.87 Favored Glycine 0 C--N 1.351 1.366 0 C-N-CA 124.082 0.848 . . . . 0.0 112.021 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -21.91 74.43 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.14 -44.18 39.53 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.837 1.255 . . . . 0.0 109.068 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -74.29 -35.35 63.72 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.74 1.216 . . . . 0.0 111.133 -174.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -56.68 -32.78 65.76 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 126.076 1.751 . . . . 0.0 112.744 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -60.5 -55.44 33.46 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 111.986 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.39 110.69 6.32 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -75.49 0.5 Allowed 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 175.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -136.5 -123.54 0.15 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -95.48 137.7 34.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -90.52 -25.88 20.03 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -67.98 -22.17 65.02 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 111.807 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.936 1.295 . . . . 0.0 109.665 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -81.87 -29.25 32.57 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.03 0.932 . . . . 0.0 110.642 -172.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -67.41 -37.25 82.78 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.811 1.244 . . . . 0.0 110.459 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.79 79.33 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.066 0.946 . . . . 0.0 110.792 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.87 -29.87 61.16 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.826 0.85 . . . . 0.0 111.174 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.41 63.89 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.952 0.901 . . . . 0.0 110.504 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.41 -40.3 67.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.633 1.173 . . . . 0.0 110.314 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.78 -37.38 81.99 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.918 0.887 . . . . 0.0 110.654 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.12 62.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.152 0.981 . . . . 0.0 111.966 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -72.16 -51.18 22.48 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.48 1.112 . . . . 0.0 109.527 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.13 -32.34 59.08 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.744 1.218 . . . . 0.0 110.602 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.75 -43.1 85.03 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.443 1.097 . . . . 0.0 109.348 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.88 -51.64 67.37 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.589 1.156 . . . . 0.0 110.015 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.03 -44.52 91.77 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.263 1.425 . . . . 0.0 112.048 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -73.59 -42.95 60.88 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 110.94 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.66 55.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 m -71.0 -22.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 119.138 0.881 . . . . 0.0 111.043 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.17 -41.2 86.35 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.873 0.869 . . . . 0.0 109.673 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.52 -36.67 52.2 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.384 1.074 . . . . 0.0 110.614 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.32 -46.88 72.2 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.149 1.78 . . . . 0.0 110.657 -175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.32 -19.21 39.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 123.568 0.747 . . . . 0.0 111.017 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.52 -65.67 0.93 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -103.9 105.2 15.31 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.756 0 N-CA-C 105.978 -2.849 . . . . 0.0 105.978 -179.525 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 1 O4'-C1'-N19 111.062 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.983 0 P-O5'-C5' 117.493 -2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.526 0 P-O5'-C5' 116.755 -2.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 0 P-O5'-C5' 117.006 -2.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 P-O5'-C5' 115.638 -3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 O4'-C1'-N19 110.354 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.625 4.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 C4'-C3'-C2' 99.242 -3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 C5'-C4'-C3' 110.336 -2.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.907 0 P-O5'-C5' 117.157 -2.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.575 0 O5'-C5'-C4' 112.204 1.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-N19 110.106 2.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.498 0 O4'-C1'-N19 109.596 2.245 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 0 N19-C1'-C2' 118.111 2.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.843 0 C1'-O4'-C4' 106.167 -2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.059 0 O5'-C5'-C4' 112.745 1.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 P-O5'-C5' 115.552 -3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.205 0 P-O5'-C5' 116.013 -3.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-C2' 102.828 -2.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 P-O5'-C5' 115.767 -3.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.486 0 P-O5'-C5' 116.507 -2.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.1 0 P-O5'-C5' 117.979 -1.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 P-O5'-C5' 116.593 -2.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O5'-C5' 115.64 -3.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 0 O5'-C5'-C4' 112.257 1.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p -105.18 136.46 44.64 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 172.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.23 172.27 9.68 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -153.04 125.11 3.83 Favored Pre-proline 0 N--CA 1.436 -1.148 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.14 170.87 17.1 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.836 2.357 . . . . 0.0 109.784 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -116.62 150.31 38.3 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -68.89 149.83 97.77 Favored Pre-proline 0 C--N 1.355 0.835 0 C-N-CA 125.089 1.356 . . . . 0.0 109.705 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -76.89 165.14 28.95 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.991 2.461 . . . . 0.0 108.444 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -138.08 160.75 38.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.0 t -93.54 161.72 14.25 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.28 65.14 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 124.326 1.05 . . . . 0.0 110.397 -175.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -69.83 -35.87 75.12 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.709 1.204 . . . . 0.0 109.742 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.3 tpp -67.26 -34.62 77.82 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.824 1.25 . . . . 0.0 111.486 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.84 -36.43 75.56 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.935 1.294 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -74.32 -32.63 62.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.778 0.831 . . . . 0.0 110.386 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.6 -45.27 93.65 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.625 0.77 . . . . 0.0 112.152 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -74.15 -29.25 61.7 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.295 0.498 . . . . 0.0 112.234 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -81.01 -38.45 27.46 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.451 0.7 . . . . 0.0 110.413 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 3.12 48.42 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.734 0.814 . . . . 0.0 111.299 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -65.51 -37.04 85.62 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 125.27 1.428 . . . . 0.0 112.934 -169.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.59 -37.37 82.47 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.703 1.201 . . . . 0.0 111.256 -176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 m -71.3 -38.34 71.77 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.4 1.08 . . . . 0.0 110.839 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.48 -41.84 64.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.5 1.12 . . . . 0.0 109.373 -175.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.66 -11.22 60.13 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -77.05 -44.18 31.68 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.98 15.73 27.68 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.235 0.614 . . . . 0.0 111.063 -171.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -134.68 147.09 61.69 Favored Pre-proline 0 C--N 1.353 0.74 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -84.6 82.18 1.85 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.875 2.383 . . . . 0.0 112.119 -168.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.02 9.94 Favored Glycine 0 C--N 1.357 1.741 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 171.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.3 tt -87.2 144.15 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 C-N-CA 123.79 0.836 . . . . 0.0 109.258 -168.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -101.34 163.9 12.04 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.57 -23.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 125.603 1.561 . . . . 0.0 113.585 -164.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.1 p -68.68 -37.94 79.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.579 1.152 . . . . 0.0 110.736 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -94.57 -4.66 47.48 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.386 0.674 . . . . 0.0 110.656 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t -77.88 -33.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 167.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.4 -28.04 62.74 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.866 0.866 . . . . 0.0 110.793 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -70.71 -52.7 19.24 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.697 1.199 . . . . 0.0 109.778 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -77.49 -26.39 51.24 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.888 1.275 . . . . 0.0 111.087 -171.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.45 3.45 85.27 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.807 -0.558 . . . . 0.0 112.084 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.55 -34.72 49.0 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -73.75 -37.51 65.03 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.583 1.153 . . . . 0.0 109.342 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.71 -44.78 66.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.245 1.018 . . . . 0.0 111.031 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -56.77 -33.59 66.77 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.204 1.402 . . . . 0.0 112.679 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -57.83 -47.91 81.29 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.659 1.184 . . . . 0.0 111.551 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.57 109.04 3.61 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.34 -60.87 1.45 Allowed 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -148.67 -98.87 0.08 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -122.25 132.83 54.62 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -28.04 16.52 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.3 p -64.25 -21.25 66.52 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 112.847 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.69 -47.97 81.32 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.111 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -83.73 -30.66 26.52 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.608 1.163 . . . . 0.0 110.374 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -72.39 -28.22 62.86 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.577 1.151 . . . . 0.0 110.931 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.79 72.41 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.786 0.834 . . . . 0.0 110.268 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.19 -39.34 71.86 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 124.695 1.198 . . . . 0.0 110.456 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.73 68.44 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.622 1.169 . . . . 0.0 111.347 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.51 -37.34 71.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 124.121 0.968 . . . . 0.0 110.412 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -70.41 -38.21 74.57 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.842 0.857 . . . . 0.0 109.924 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.26 74.69 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.409 1.083 . . . . 0.0 111.459 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -71.48 -48.2 50.63 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 124.088 0.955 . . . . 0.0 109.376 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.56 -38.58 89.98 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.823 1.249 . . . . 0.0 110.948 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.35 -47.54 76.09 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.17 1.388 . . . . 0.0 109.411 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -60.39 -46.89 88.35 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.265 1.426 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.81 -45.39 92.5 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.305 1.842 . . . . 0.0 110.855 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -76.19 -39.88 53.69 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.236 1.015 . . . . 0.0 110.867 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.81 64.14 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 123.995 0.918 . . . . 0.0 113.036 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 m -71.05 -23.32 23.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-N 119.107 0.867 . . . . 0.0 111.27 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -69.27 -42.03 76.09 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.969 0.908 . . . . 0.0 109.378 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.31 -35.82 54.55 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.538 1.135 . . . . 0.0 110.53 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.89 -46.48 71.53 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.174 1.79 . . . . 0.0 110.371 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -89.8 8.33 32.44 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 123.198 0.599 . . . . 0.0 111.071 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.44 42.36 1.1 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -127.63 -96.3 0.42 Allowed 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.624 0 N-CA-C 105.773 -2.931 . . . . 0.0 105.773 179.787 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 1 O4'-C1'-N19 111.713 4.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.047 0 O5'-C5'-C4' 112.842 1.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.704 0 P-O5'-C5' 116.738 -2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 P-O5'-C5' 116.867 -2.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.462 0 P-O5'-C5' 116.59 -2.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 0 P-O5'-C5' 116.36 -2.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.096 1 O4'-C1'-N19 112.497 5.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 C4'-C3'-C2' 99.882 -3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 C5'-C4'-C3' 110.246 -2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.713 0 P-O3'-C3' 116.955 -2.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.456 0 P-O5'-C5' 116.161 -2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.233 0 O4'-C1'-N19 110.626 3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.365 3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 N19-C1'-C2' 118.042 2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.153 0 C5'-C4'-C3' 109.794 -3.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.792 0 O5'-C5'-C4' 112.961 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.276 0 P-O5'-C5' 115.594 -3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 0 P-O5'-C5' 115.847 -3.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 0 P-O5'-C5' 116.596 -2.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 0 C5'-C4'-C3' 110.158 -3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.51 0 P-O5'-C5' 116.66 -2.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 109.101 1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.198 0 P-O5'-C5' 116.189 -2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 P-O5'-C5' 115.262 -3.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.922 1 O4'-C1'-N19 111.09 4.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 C5'-C4'-C3' 112.287 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 121.12 0.486 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -149.91 44.57 0.91 Allowed 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 103.221 -2.881 . . . . 0.0 103.221 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -103.66 -121.21 0.2 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 -171.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -91.21 122.42 66.35 Favored Pre-proline 0 N--CA 1.439 -0.976 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.88 167.31 23.94 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.707 2.272 . . . . 0.0 109.531 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -97.61 148.93 22.8 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -91.46 156.94 42.94 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.35 167.46 21.29 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.857 2.371 . . . . 0.0 108.943 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.38 169.49 17.57 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.004 -2.961 . . . . 0.0 103.004 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -91.58 172.43 8.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.21 72.01 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.429 1.092 . . . . 0.0 109.906 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -70.02 -39.58 75.72 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.95 1.3 . . . . 0.0 109.648 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.4 tpp -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 111.82 -171.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.3 mt -67.35 -34.6 77.66 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.585 1.154 . . . . 0.0 111.262 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -72.67 -35.46 67.71 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.573 0.749 . . . . 0.0 110.215 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.22 -34.91 78.47 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.517 0.727 . . . . 0.0 111.18 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -76.77 -31.92 57.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 123.75 0.82 . . . . 0.0 110.957 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 p -79.8 -37.2 35.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.847 0.459 . . . . 0.0 110.428 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.57 14.77 14.03 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.734 0.814 . . . . 0.0 111.131 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -69.05 -40.83 78.31 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.552 1.141 . . . . 0.0 112.369 -168.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.8 -37.44 73.26 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.651 0.781 . . . . 0.0 110.738 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 m -66.85 -41.66 87.01 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.908 1.283 . . . . 0.0 111.506 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.53 -38.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.531 1.133 . . . . 0.0 109.089 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.06 -19.98 61.07 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -76.09 -45.97 31.32 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 118.937 0.789 . . . . 0.0 109.694 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -92.08 23.71 3.64 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.922 0.489 . . . . 0.0 111.7 -171.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -143.36 153.92 59.86 Favored Pre-proline 0 N--CA 1.441 -0.91 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 172.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -86.14 69.31 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.87 2.38 . . . . 0.0 111.532 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 70.37 1.27 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.8 tt -98.97 144.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 124.211 1.004 . . . . 0.0 109.063 -166.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -104.64 170.69 7.74 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.28 -35.44 74.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 C-N-CA 125.016 1.327 . . . . 0.0 114.354 -164.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.4 p -74.39 -27.34 60.6 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 109.954 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.2 -23.44 26.47 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.079 1.352 . . . . 0.0 109.805 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.7 t -71.52 -26.83 26.99 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 C-N-CA 125.22 1.408 . . . . 0.0 108.904 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.08 63.07 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.49 -0.756 . . . . 0.0 111.988 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -77.86 -57.21 3.92 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.717 1.207 . . . . 0.0 109.35 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -73.84 -35.61 64.83 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.715 1.206 . . . . 0.0 110.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.75 -11.21 84.22 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.903 0.763 . . . . 0.0 111.456 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 -26.22 62.62 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.99 -45.81 47.65 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.89 1.276 . . . . 0.0 109.562 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.28 -21.93 49.02 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 111.007 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -75.48 -38.24 59.69 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.982 1.313 . . . . 0.0 109.206 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -68.46 -46.72 69.03 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.689 0.796 . . . . 0.0 110.377 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.87 92.95 4.26 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -132.0 -150.63 0.43 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -87.74 -106.54 0.07 Allowed 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -115.95 158.24 23.34 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -88.92 -27.96 20.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.96 -25.48 65.24 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.74 2.416 . . . . 0.0 113.879 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.35 -43.49 96.43 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 126.225 1.81 . . . . 0.0 110.502 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -90.81 -31.51 16.46 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 124.942 1.297 . . . . 0.0 109.934 -172.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.59 -39.63 88.49 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.344 1.058 . . . . 0.0 111.276 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.99 80.1 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.986 0.914 . . . . 0.0 110.816 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -73.21 -35.53 66.34 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.229 1.012 . . . . 0.0 110.3 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.95 72.02 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.86 1.264 . . . . 0.0 111.431 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.22 -38.87 68.87 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.452 1.101 . . . . 0.0 110.721 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.72 -27.44 58.17 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.618 0.767 . . . . 0.0 110.599 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.42 62.83 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 123.991 0.916 . . . . 0.0 110.401 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.09 -35.51 59.33 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.575 1.15 . . . . 0.0 109.882 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 125.2 1.4 . . . . 0.0 109.587 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.41 -50.16 72.64 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.516 1.526 . . . . 0.0 109.782 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.59 -53.07 62.37 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.99 1.716 . . . . 0.0 111.292 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -60.43 -45.22 94.42 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.58 1.152 . . . . 0.0 111.195 -171.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -75.17 -36.46 61.49 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.285 0.634 . . . . 0.0 111.146 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.46 -30.15 62.99 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.108 0.963 . . . . 0.0 113.418 -172.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.38 -13.43 15.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 CA-C-N 118.75 0.705 . . . . 0.0 112.84 -173.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.04 -36.47 64.4 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.46 -30.44 33.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.477 1.111 . . . . 0.0 110.088 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -71.74 -52.27 18.57 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.495 1.518 . . . . 0.0 108.659 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -93.09 28.58 2.1 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.165 0.986 . . . . 0.0 110.037 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.74 -28.7 24.43 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 169.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -87.08 153.63 21.38 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 105.849 -2.9 . . . . 0.0 105.849 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.296 1 O4'-C1'-N19 111.341 4.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 P-O5'-C5' 117.27 -2.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 0 P-O5'-C5' 116.564 -2.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.115 0 P-O5'-C5' 117.197 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.56 0 P-O5'-C5' 116.799 -2.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 O4'-C1'-N19 110.455 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.577 -2.532 1 O4'-C1'-N19 112.176 5.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.184 2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.062 0 O4'-C1'-N19 109.255 1.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 0 P-O3'-C3' 117.731 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.547 0 O5'-C5'-C4' 112.347 1.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.193 0 O4'-C1'-N19 110.889 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.617 0 O4'-C1'-N19 110.43 3.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.357 0 N19-C1'-C2' 117.978 2.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.191 0 C5'-C4'-C3' 109.935 -3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 0 O5'-C5'-C4' 113.083 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 P-O5'-C5' 115.461 -3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.274 0 P-O5'-C5' 115.888 -3.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-C2' 103.053 -2.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 P-O5'-C5' 116.609 -2.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.389 0 P-O5'-C5' 116.729 -2.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 P-O5'-C5' 117.89 -1.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 0 P-O5'-C5' 116.343 -2.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 0 P-O5'-C5' 115.479 -3.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O4'-C1'-N19 109.185 1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttm . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -136.45 151.84 49.91 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -153.43 -178.8 7.23 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 102.339 -3.208 . . . . 0.0 102.339 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -145.74 129.4 8.49 Favored Pre-proline 0 N--CA 1.436 -1.144 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 175.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -77.46 164.44 28.61 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.443 2.095 . . . . 0.0 109.701 -175.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -137.35 -176.21 4.32 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -74.62 125.76 89.31 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.223 -170.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -89.42 9.14 3.56 Favored 'Trans proline' 0 CA--C 1.51 -0.686 0 C-N-CA 122.604 2.203 . . . . 0.0 111.188 -170.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.58 107.57 5.93 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.465 1.03 . . . . 0.0 110.54 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p -156.91 100.93 1.92 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 103.412 -2.811 . . . . 0.0 103.412 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.75 56.2 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.795 0.838 . . . . 0.0 111.409 -169.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -69.55 -38.19 77.37 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.269 1.427 . . . . 0.0 110.026 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -26.03 63.01 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.282 -176.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.85 -39.84 72.7 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.76 0.824 . . . . 0.0 110.5 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -72.79 -31.9 65.19 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.487 1.115 . . . . 0.0 110.164 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -46.43 86.7 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.797 1.239 . . . . 0.0 110.943 -171.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -74.03 -24.61 59.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.177 0.591 . . . . 0.0 111.97 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -78.83 -45.91 19.83 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.033 0.933 . . . . 0.0 109.36 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.41 2.22 37.61 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.222 1.009 . . . . 0.0 111.509 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -63.57 -34.85 78.73 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.595 1.558 . . . . 0.0 112.533 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -75.11 -29.86 60.7 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.636 0.774 . . . . 0.0 112.214 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.5 p -77.77 -33.62 52.65 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.34 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 126.332 1.853 . . . . 0.0 110.999 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.85 -31.1 70.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.119 0.967 . . . . 0.0 111.84 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -87.35 -34.9 18.66 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 109.862 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.63 -56.87 5.47 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.844 1.258 . . . . 0.0 110.136 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.39 137.76 22.0 Favored Pre-proline 0 N--CA 1.442 -0.826 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -84.19 75.52 3.9 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.046 2.498 . . . . 0.0 111.427 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.13 63.01 2.62 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.4 tt -87.8 153.34 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -80.72 152.65 28.27 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.6 -21.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 124.233 1.013 . . . . 0.0 113.155 -166.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 p -79.97 -28.79 39.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 123.919 0.887 . . . . 0.0 109.798 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.6 -8.28 58.95 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 110.839 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.29 -34.07 56.97 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 C-N-CA 124.638 1.175 . . . . 0.0 108.568 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.35 79.23 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.734 0.814 . . . . 0.0 111.171 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.71 -52.31 57.79 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.946 1.298 . . . . 0.0 111.309 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.58 -16.67 47.61 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.617 0.767 . . . . 0.0 111.114 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.86 -14.73 80.47 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 123.813 0.72 . . . . 0.0 112.057 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.04 63.34 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -74.96 -36.8 62.07 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.486 1.114 . . . . 0.0 109.385 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.58 -22.78 46.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.621 1.169 . . . . 0.0 110.926 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -75.75 -38.73 58.14 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.146 0.979 . . . . 0.0 108.664 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -65.45 -55.26 18.95 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.252 1.021 . . . . 0.0 110.134 -174.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.55 86.1 2.35 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.8 ttm -116.02 -142.82 0.38 Allowed 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -104.67 -99.85 0.32 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 173.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -107.94 140.52 40.95 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -94.81 -20.35 19.54 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 171.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.9 m -60.07 -30.38 69.18 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.169 2.188 . . . . 0.0 113.588 -171.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.97 -46.75 73.69 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.872 1.269 . . . . 0.0 109.396 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -72.41 -34.5 67.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.815 1.246 . . . . 0.0 111.396 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.38 -36.66 68.76 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.496 1.118 . . . . 0.0 110.824 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.39 -30.03 61.79 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.04 0.936 . . . . 0.0 110.757 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -77.31 -29.02 53.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.401 1.081 . . . . 0.0 110.016 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.51 61.02 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.237 1.015 . . . . 0.0 110.055 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.01 -31.71 68.3 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.187 0.995 . . . . 0.0 110.928 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -66.89 -37.18 83.9 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.453 1.101 . . . . 0.0 110.472 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -16.78 63.12 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.146 0.978 . . . . 0.0 112.344 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -75.61 -40.37 56.49 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 124.171 0.988 . . . . 0.0 108.769 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -69.05 -41.92 76.98 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.027 0.931 . . . . 0.0 109.496 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.56 -31.33 72.31 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.352 1.061 . . . . 0.0 111.504 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -64.96 -39.18 93.1 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 110.112 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.24 -35.5 78.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.571 1.148 . . . . 0.0 110.835 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -83.58 -24.94 31.3 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.893 0.477 . . . . 0.0 110.429 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.68 59.51 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.403 1.081 . . . . 0.0 111.656 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.8 m -73.79 -14.95 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 C-N-CA 122.907 0.483 . . . . 0.0 111.608 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -69.12 -47.06 66.1 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.866 0.866 . . . . 0.0 109.174 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -73.58 -29.69 62.55 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.558 1.143 . . . . 0.0 110.952 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.74 -50.73 63.72 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.578 1.551 . . . . 0.0 109.813 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -85.0 -0.87 55.84 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 123.178 0.591 . . . . 0.0 111.623 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.84 58.26 2.61 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -143.89 164.94 29.13 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.784 0 N-CA-C 105.626 -2.989 . . . . 0.0 105.626 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.462 1 O4'-C1'-N19 111.175 4.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.14 0 O5'-C5'-C4' 112.704 1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 P-O5'-C5' 117.119 -2.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 C5'-C4'-C3' 111.893 -1.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 P-O5'-C5' 116.222 -2.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 0 P-O5'-C5' 116.283 -2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 112.221 5.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.037 0 C4'-C3'-C2' 100.004 -3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 C5'-C4'-C3' 110.152 -3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 P-O3'-C3' 117.736 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 P-O5'-C5' 116.61 -2.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 0 O4'-C1'-N19 110.362 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.558 0 O4'-C1'-N19 109.897 2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 0 N19-C1'-C2' 118.033 2.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.545 2.718 0 C1'-O4'-C4' 106.337 -2.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.191 0 O5'-C5'-C4' 112.869 1.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 0 P-O5'-C5' 115.545 -3.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 0 P-O5'-C5' 115.982 -3.074 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 109.967 2.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 0 C4'-C3'-C2' 100.963 -2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.752 0 P-O5'-C5' 116.741 -2.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.954 0 P-O5'-C5' 118.05 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.612 0 P-O5'-C5' 115.922 -3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.175 0 P-O5'-C5' 115.414 -3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.162 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.491 0 O4'-C1'-N19 109.062 1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -147.35 -89.59 0.09 Allowed 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -88.48 156.38 19.13 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -104.6 139.74 20.4 Favored Pre-proline 0 N--CA 1.44 -0.975 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -73.05 162.02 41.92 Favored 'Trans proline' 0 CA--C 1.508 -0.778 0 C-N-CA 122.952 2.435 . . . . 0.0 110.443 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -113.66 140.43 48.23 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 -171.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -82.52 150.32 63.0 Favored Pre-proline 0 N--CA 1.443 -0.824 0 C-N-CA 124.517 1.127 . . . . 0.0 109.589 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -82.56 172.65 11.17 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.468 2.778 . . . . 0.0 109.167 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.56 -173.18 3.35 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.697 -2.335 . . . . 0.0 104.697 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -125.02 170.51 11.08 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.96 69.09 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.828 1.251 . . . . 0.0 110.612 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -71.01 -33.17 70.11 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.675 1.19 . . . . 0.0 109.678 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -39.32 78.38 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.681 1.192 . . . . 0.0 111.013 -173.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -68.51 -39.95 81.04 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.19 1.396 . . . . 0.0 110.572 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -70.13 -34.81 73.53 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.127 0.971 . . . . 0.0 110.966 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.09 -37.85 86.79 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.371 0.668 . . . . 0.0 111.221 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.18 -27.53 53.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 123.479 0.712 . . . . 0.0 110.321 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -77.17 -58.28 3.37 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.102 0.961 . . . . 0.0 109.135 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.37 53.09 1.14 Allowed 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.302 1.041 . . . . 0.0 108.841 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -93.18 -44.33 8.4 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -74.2 -28.52 61.31 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.528 1.531 . . . . 0.0 110.619 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 p -73.77 -32.49 63.83 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.945 0.898 . . . . 0.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.89 -45.23 77.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.309 1.044 . . . . 0.0 109.077 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -74.15 -14.72 61.0 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -74.61 -48.51 26.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.555 0.742 . . . . 0.0 109.208 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -95.51 26.88 3.65 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.359 0.664 . . . . 0.0 111.011 -172.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.74 152.19 78.39 Favored Pre-proline 0 N--CA 1.443 -0.788 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 171.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -86.42 61.08 4.6 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.368 2.712 . . . . 0.0 111.046 -172.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 65.27 1.64 Allowed Glycine 0 C--N 1.351 1.414 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 tt -87.29 148.55 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -87.64 162.78 16.93 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 m -71.97 -26.17 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 C-N-CA 124.37 1.068 . . . . 0.0 112.578 -167.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.9 m -78.66 -31.34 46.72 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.194 0.997 . . . . 0.0 108.776 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -80.23 -4.67 54.13 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.706 1.202 . . . . 0.0 111.794 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.43 -30.15 38.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 124.345 1.058 . . . . 0.0 108.551 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.46 -11.27 59.83 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.888 0.875 . . . . 0.0 111.86 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -92.68 -55.25 3.45 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -75.43 -27.25 58.89 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.381 0.672 . . . . 0.0 110.946 -170.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.66 -4.17 87.58 Favored Glycine 0 C--N 1.352 1.463 0 C-N-CA 123.632 0.634 . . . . 0.0 112.023 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.46 -25.76 60.5 Favored Glycine 0 C--N 1.355 1.597 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -72.45 -43.52 63.66 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.161 1.385 . . . . 0.0 108.757 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -79.64 -19.87 48.12 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.399 1.48 . . . . 0.0 111.358 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.402 ' HE1' H5'' ' C' ' 24' ' ' ' DT' . 58.5 t-105 -79.81 -40.97 27.43 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.491 1.117 . . . . 0.0 109.024 177.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -70.18 -47.77 60.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.307 0.643 . . . . 0.0 109.728 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.73 82.65 2.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -123.22 -149.13 0.42 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.41 -111.26 0.18 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.07 153.04 20.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -109.51 1.83 20.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.6 p -68.23 -30.47 69.53 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.83 1.652 . . . . 0.0 112.473 -171.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.93 -41.88 81.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.089 1.356 . . . . 0.0 110.435 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -85.73 -34.19 21.29 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 124.181 0.992 . . . . 0.0 110.645 -168.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -76.83 -26.75 54.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 122.784 0.434 . . . . 0.0 111.036 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.08 -32.01 50.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.926 0.89 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.04 -40.28 62.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.164 1.386 . . . . 0.0 109.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.53 69.09 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.873 1.269 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.58 -26.98 61.91 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.705 1.202 . . . . 0.0 111.505 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -70.65 -43.91 68.19 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.73 -20.48 62.64 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.131 0.972 . . . . 0.0 111.649 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -76.01 -43.03 46.17 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.093 1.357 . . . . 0.0 109.698 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.96 -47.29 46.72 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.615 1.166 . . . . 0.0 109.085 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.515 1.126 . . . . 0.0 111.739 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.71 -58.54 3.55 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.63 -38.43 87.64 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.511 1.524 . . . . 0.0 111.529 -172.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -70.24 -46.88 63.54 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.433 1.093 . . . . 0.0 110.581 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.9 -33.29 62.01 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 123.282 0.633 . . . . 0.0 112.606 -171.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 m -69.03 -26.5 32.42 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 119.163 0.892 . . . . 0.0 111.141 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -69.38 -42.43 75.18 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.747 0.819 . . . . 0.0 109.603 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.06 -33.28 51.0 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.884 1.273 . . . . 0.0 110.603 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.01 -49.29 62.46 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.103 1.761 . . . . 0.0 109.814 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -85.08 -4.1 59.03 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.68 0.792 . . . . 0.0 111.392 -174.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.88 65.8 5.81 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -156.74 145.19 19.76 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 102.768 -3.049 . . . . 0.0 102.768 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.788 0 N-CA-C 105.933 -2.867 . . . . 0.0 105.933 -177.074 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 O4'-C1'-N19 110.133 2.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.731 0 P-O5'-C5' 116.671 -2.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 P-O5'-C5' 116.578 -2.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 P-O5'-C5' 116.67 -2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 P-O5'-C5' 116.151 -2.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.095 0 O4'-C1'-N19 110.225 3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 2 O4'-C1'-N19 112.033 5.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.847 0 C4'-C3'-C2' 99.289 -3.911 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 0 C5'-C4'-C3' 110.309 -2.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.777 0 O5'-C5'-C4' 112.275 1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.721 0 O5'-C5'-C4' 112.288 1.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.595 0 O4'-C1'-N19 110.411 3.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 0 N19-C1'-C2' 117.996 2.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.365 0 C5'-C4'-C3' 109.608 -3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 O5'-C5'-C4' 112.551 1.679 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.099 0 P-O5'-C5' 115.522 -3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 0 P-O5'-C5' 115.993 -3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-C2' 103.2 -2.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 0 C4'-C3'-C2' 99.999 -3.201 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.083 0 O5'-C5'-C4' 112.785 1.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 P-O5'-C5' 116.721 -2.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.816 0 P-O5'-C5' 116.252 -2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.402 H5'' ' HE1' ' A' ' 43' ' ' TRP . . . . . . . . 0 C5'--C4' 1.53 2.333 0 P-O5'-C5' 114.98 -3.7 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.739 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.55 0 C5'-C4'-C3' 112.359 -1.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -93.1 113.22 25.41 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.51 133.68 55.37 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 102.775 -3.046 . . . . 0.0 102.775 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -163.11 137.9 4.98 Favored Pre-proline 0 N--CA 1.44 -0.936 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.16 160.3 29.79 Favored 'Trans proline' 0 CA--C 1.507 -0.836 0 CA-C-N 122.826 2.045 . . . . 0.0 110.413 -174.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -147.82 94.33 2.33 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 57.79 82.78 0.23 Allowed Pre-proline 0 C--N 1.356 0.858 0 C-N-CA 126.742 2.017 . . . . 0.0 113.891 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.21 163.17 33.08 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.795 2.33 . . . . 0.0 109.81 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp 55.75 91.33 0.03 OUTLIER 'General case' 0 C--N 1.357 0.934 0 C-N-CA 127.361 2.265 . . . . 0.0 112.599 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -88.8 153.97 20.65 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.81 74.0 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.439 1.095 . . . . 0.0 110.953 -174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.89 -36.99 75.88 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.024 1.33 . . . . 0.0 109.775 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 tpp -69.56 -33.85 73.35 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.272 1.029 . . . . 0.0 111.231 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.2 -31.96 64.5 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.133 0.973 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -73.4 -33.69 65.13 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.677 0.791 . . . . 0.0 110.117 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.7 -41.27 98.13 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -74.83 -24.16 58.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 118.798 0.726 . . . . 0.0 111.691 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -76.91 -46.77 23.13 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.346 1.058 . . . . 0.0 108.742 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.74 58.4 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.319 1.047 . . . . 0.0 112.142 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -50.41 -48.57 56.03 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.372 2.269 . . . . 0.0 113.121 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.43 -35.58 75.83 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.612 1.165 . . . . 0.0 111.195 -169.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.0 m -72.3 -38.37 68.76 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.438 1.095 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.14 -36.7 74.47 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 125.078 1.351 . . . . 0.0 109.915 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -80.47 -4.75 54.98 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -83.1 -36.46 24.82 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.34 -53.64 6.15 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.27 1.028 . . . . 0.0 109.665 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -87.59 143.0 33.27 Favored Pre-proline 0 N--CA 1.443 -0.775 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 -175.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -81.13 86.69 1.58 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.013 2.475 . . . . 0.0 112.455 -162.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 50.61 37.77 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 tt -85.23 142.39 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 123.884 0.874 . . . . 0.0 109.055 -169.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -93.66 161.69 14.24 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.23 -21.74 26.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -166.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 p -73.16 -30.11 63.34 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.856 1.262 . . . . 0.0 110.035 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -94.19 -17.29 22.87 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 125.469 1.508 . . . . 0.0 109.354 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -73.43 -24.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 124.82 1.248 . . . . 0.0 108.246 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.58 68.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.433 -0.792 . . . . 0.0 111.6 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -71.62 -52.4 18.19 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.016 0.926 . . . . 0.0 109.803 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -75.92 -36.77 59.28 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.048 0.939 . . . . 0.0 110.536 -172.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.81 -7.26 87.55 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 124.393 0.997 . . . . 0.0 111.951 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.43 -27.56 59.26 Favored Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.83 -37.15 41.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.279 1.432 . . . . 0.0 108.985 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.86 -29.48 58.55 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.722 1.209 . . . . 0.0 111.188 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -72.96 -36.48 67.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.928 1.291 . . . . 0.0 109.71 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 -66.51 -48.2 70.52 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.463 1.105 . . . . 0.0 110.528 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.85 81.99 1.55 Allowed 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -113.84 -137.91 0.37 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -114.02 -120.93 0.3 Allowed 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 104.041 -2.577 . . . . 0.0 104.041 173.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -90.61 153.16 20.53 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -106.4 -2.71 21.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -63.02 -33.18 74.88 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.067 2.147 . . . . 0.0 111.48 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.86 -45.67 92.77 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.435 1.494 . . . . 0.0 111.072 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -82.82 -29.83 29.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.308 1.043 . . . . 0.0 111.093 -170.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.77 -33.84 62.35 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.777 0.831 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.81 -26.19 59.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.199 1.0 . . . . 0.0 110.765 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -75.7 -35.28 60.35 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.975 0.91 . . . . 0.0 109.049 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.89 4.67 24.65 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.79 1.236 . . . . 0.0 111.602 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.8 48.77 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.645 0.778 . . . . 0.0 109.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -77.77 -18.13 56.77 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.129 0.972 . . . . 0.0 110.502 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.2 45.83 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 123.111 0.564 . . . . 0.0 109.9 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.6 -39.9 57.24 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.07 1.348 . . . . 0.0 108.153 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.12 -42.11 89.61 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.378 1.471 . . . . 0.0 109.944 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.16 -23.35 59.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.463 1.105 . . . . 0.0 111.155 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.93 -40.81 94.61 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.14 -46.87 87.23 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.639 1.576 . . . . 0.0 110.711 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -79.39 -30.52 42.52 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.494 0.718 . . . . 0.0 110.697 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.1 67.9 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.025 1.33 . . . . 0.0 111.826 -175.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.31 -19.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 C-N-CA 122.773 0.429 . . . . 0.0 111.881 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -74.13 -34.16 63.8 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.726 0.81 . . . . 0.0 110.099 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -82.27 -31.25 30.18 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.851 0.86 . . . . 0.0 110.218 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -69.64 -52.12 28.75 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.599 1.56 . . . . 0.0 110.118 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.55 -22.39 57.09 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 110.817 -174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.99 73.58 9.08 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 174.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -155.87 -177.55 6.65 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 103.05 -2.944 . . . . 0.0 103.05 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 108.287 -1.925 . . . . 0.0 108.287 -179.488 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 O4'-C1'-N19 110.667 3.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.954 0 P-O5'-C5' 117.174 -2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.745 0 P-O5'-C5' 116.785 -2.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 0 P-O5'-C5' 115.803 -3.186 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 P-O5'-C5' 116.168 -2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.463 0 P-O5'-C5' 116.373 -2.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 1 O4'-C1'-N19 111.466 4.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.117 1 C4'-C3'-C2' 98.341 -4.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 109.755 2.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.974 0 P-O5'-C5' 117.408 -2.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.599 0 C5'-C4'-C3' 112.557 -1.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.224 0 O4'-C1'-N19 110.542 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.626 0 C5'-C4'-C3' 112.206 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.195 0 N19-C1'-C2' 118.029 2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.276 0 C5'-C4'-C3' 110.137 -3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.468 0 C3'-C2'-C1' 98.767 -2.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.735 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 0 P-O5'-C5' 116.399 -2.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-C2' 103.173 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.738 0 C5'-C4'-C3' 110.201 -2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.58 0 P-O5'-C5' 116.495 -2.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 0 C3'-C2'-C1' 105.195 1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 P-O5'-C5' 116.082 -3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O5'-C5' 115.716 -3.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.863 0 O5'-C5'-C4' 112.325 1.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -110.78 -132.09 0.32 Allowed 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.7 152.16 23.3 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -146.83 129.85 8.02 Favored Pre-proline 0 N--CA 1.435 -1.2 0 N-CA-C 102.871 -3.011 . . . . 0.0 102.871 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.03 156.32 42.82 Favored 'Trans proline' 0 CA--C 1.505 -0.939 0 C-N-CA 122.577 2.185 . . . . 0.0 109.218 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -120.4 -157.8 0.73 Allowed 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 -175.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -76.54 119.0 75.51 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.076 -168.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -85.01 94.58 0.66 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.901 2.401 . . . . 0.0 111.021 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.4 139.91 17.83 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -171.83 127.34 0.61 Allowed 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.16 -37.98 25.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 123.197 0.599 . . . . 0.0 110.302 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.02 -39.36 83.16 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.441 1.496 . . . . 0.0 110.488 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 tpp -73.28 -28.96 62.41 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 123.029 0.532 . . . . 0.0 111.739 -169.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.99 -32.59 65.26 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.278 1.031 . . . . 0.0 110.53 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -72.02 -31.16 65.93 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.492 1.117 . . . . 0.0 110.302 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.91 -26.92 64.39 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.536 0.734 . . . . 0.0 111.406 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -77.18 -29.81 54.59 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.498 0.719 . . . . 0.0 109.95 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.4 t -75.03 -45.23 43.08 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.294 1.037 . . . . 0.0 109.371 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.85 8.39 23.11 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.127 0.971 . . . . 0.0 111.686 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -66.76 -39.62 87.95 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.844 1.258 . . . . 0.0 111.757 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -65.64 -48.06 73.48 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.011 1.324 . . . . 0.0 110.16 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -66.99 -43.23 83.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.727 1.211 . . . . 0.0 112.237 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.3 -32.78 59.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 125.091 1.356 . . . . 0.0 110.967 -174.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -63.98 -42.57 97.2 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.133 0.973 . . . . 0.0 112.258 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.5 -31.38 24.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 C-N-CA 122.285 0.234 . . . . 0.0 111.14 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.62 -54.62 9.81 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.726 0.811 . . . . 0.0 110.684 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.86 137.6 33.44 Favored Pre-proline 0 C--N 1.353 0.726 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.78 91.25 1.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.171 2.58 . . . . 0.0 112.201 -163.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.27 50.2 13.15 Favored Glycine 0 C--N 1.354 1.558 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 tt -84.65 144.67 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -88.44 157.57 18.63 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -72.9 -19.99 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 C-N-CA 124.668 1.187 . . . . 0.0 112.667 -168.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.2 p -78.54 -30.25 46.87 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.173 0.989 . . . . 0.0 109.769 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.4 -4.27 59.11 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.572 1.149 . . . . 0.0 111.03 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.76 -27.59 28.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 125.088 1.355 . . . . 0.0 108.452 173.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -13.38 60.07 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.734 0.813 . . . . 0.0 111.9 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -86.12 -58.04 2.79 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -71.06 -31.08 67.39 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.758 1.223 . . . . 0.0 111.776 -169.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.85 -7.03 87.84 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.48 -25.27 57.2 Favored Glycine 0 C--N 1.355 1.587 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.04 -37.67 66.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.37 1.468 . . . . 0.0 108.945 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.16 -28.83 31.91 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.046 1.338 . . . . 0.0 111.12 -176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.02 -34.07 68.54 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.672 1.189 . . . . 0.0 109.997 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -45.44 78.27 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.881 0.873 . . . . 0.0 110.022 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.03 73.35 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -117.59 -139.97 0.36 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -117.21 -124.09 0.29 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -91.95 160.55 15.21 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.775 0.83 . . . . 0.0 108.91 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -3.6 49.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.05 0.94 . . . . 0.0 108.481 174.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 t -63.38 -30.79 71.86 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 126.497 1.919 . . . . 0.0 112.16 -170.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.9 -44.06 90.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.284 1.033 . . . . 0.0 110.712 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.69 -31.35 22.52 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.785 0.834 . . . . 0.0 111.997 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -79.21 -25.02 42.73 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.542 0.61 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.04 -29.91 55.42 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 123.819 0.848 . . . . 0.0 109.847 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -77.08 -26.3 53.29 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.201 1.001 . . . . 0.0 109.761 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.79 -6.94 57.25 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.536 1.134 . . . . 0.0 111.413 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.33 -20.95 54.16 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.874 0.869 . . . . 0.0 110.314 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -70.41 -35.96 73.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.482 1.113 . . . . 0.0 108.791 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.88 63.63 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.565 1.146 . . . . 0.0 112.301 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.329 1.051 . . . . 0.0 109.863 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.69 -28.65 60.91 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.872 1.269 . . . . 0.0 109.512 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.69 -37.49 67.85 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 109.625 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -64.38 -34.83 79.08 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 126.603 1.961 . . . . 0.0 110.761 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.34 -39.54 83.5 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.599 1.56 . . . . 0.0 111.138 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -83.48 -36.07 24.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -32.03 72.23 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 112.96 -172.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.04 -22.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 O-C-N 121.96 -0.462 . . . . 0.0 111.59 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -74.0 -32.88 63.59 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 121.644 -0.66 . . . . 0.0 110.078 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.86 -39.09 64.21 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.288 1.035 . . . . 0.0 109.88 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -65.97 -48.8 70.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.966 1.706 . . . . 0.0 110.473 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -88.15 10.43 19.37 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 122.994 0.518 . . . . 0.0 111.221 -173.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.19 35.98 2.39 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 173.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -121.86 135.08 54.88 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.726 0 N-CA-C 105.801 -2.92 . . . . 0.0 105.801 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.442 0 O4'-C1'-N19 110.8 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.686 0 P-O5'-C5' 117.154 -2.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.057 0 P-O5'-C5' 116.042 -3.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.264 0 P-O5'-C5' 116.785 -2.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 P-O5'-C5' 116.147 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 P-O5'-C5' 116.128 -2.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 112.217 5.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.062 0 C4'-C3'-C2' 100.059 -3.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.279 0 O5'-C5'-C4' 114.397 2.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 O4'-C1'-C2' 102.807 -2.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 C5'-C4'-C3' 112.04 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.532 0 O4'-C1'-N19 110.193 2.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 N19-C1'-C2' 118.09 2.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.551 0 O4'-C1'-N19 109.966 2.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.086 0 O5'-C5'-C4' 112.884 1.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.168 0 P-O5'-C5' 115.628 -3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.112 0 P-O5'-C5' 115.908 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.009 0 O4'-C1'-C2' 102.488 -3.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.578 0 P-O5'-C5' 116.272 -2.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 P-O5'-C5' 116.698 -2.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 109.827 2.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 P-O5'-C5' 115.971 -3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.848 0 P-O5'-C5' 115.23 -3.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 1 O4'-C1'-N19 111.386 4.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 0 O4'-C1'-N19 109.139 1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -148.93 160.57 43.16 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -129.36 163.84 24.89 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -121.81 133.05 24.14 Favored Pre-proline 0 N--CA 1.44 -0.948 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -77.02 164.87 29.11 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.864 2.376 . . . . 0.0 109.701 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -101.77 142.75 32.61 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -67.73 155.1 92.23 Favored Pre-proline 0 C--N 1.353 0.748 0 C-N-CA 126.244 1.818 . . . . 0.0 110.861 -175.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.15 156.74 42.34 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 122.831 2.354 . . . . 0.0 108.663 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 mt -139.37 158.74 43.62 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 t -115.54 160.06 20.44 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.06 72.65 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.651 1.18 . . . . 0.0 110.696 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.01 -40.51 78.64 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.764 1.226 . . . . 0.0 109.682 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.7 mmm -78.03 -21.71 50.31 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 122.909 0.484 . . . . 0.0 112.1 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 mt -76.79 -34.07 58.0 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.565 0.746 . . . . 0.0 110.324 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -73.68 -28.17 61.61 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 123.635 0.774 . . . . 0.0 109.628 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.744 1.218 . . . . 0.0 111.35 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -76.09 -29.29 57.88 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.32 0.648 . . . . 0.0 112.12 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -78.77 -36.7 42.59 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 122.844 0.457 . . . . 0.0 109.792 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.03 14.51 17.54 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.805 0.842 . . . . 0.0 110.736 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -77.69 -37.64 49.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.254 -0.904 . . . . 0.0 109.438 -175.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.46 -30.85 67.78 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.723 1.209 . . . . 0.0 112.04 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -75.16 -47.27 29.26 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 122.877 0.471 . . . . 0.0 110.011 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.73 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.187 1.395 . . . . 0.0 110.931 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -18.9 60.58 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -93.18 -35.25 13.25 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.677 0.671 . . . . 0.0 109.926 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.08 -46.88 61.0 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.661 0.784 . . . . 0.0 110.447 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -88.67 141.75 30.33 Favored Pre-proline 0 C--N 1.352 0.706 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.14 80.73 2.54 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.968 2.445 . . . . 0.0 111.637 -165.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.37 56.97 4.87 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 175.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 tt -80.87 148.26 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -81.58 154.73 26.05 Favored 'General case' 0 CA--C 1.501 -0.924 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.09 -28.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 125.125 1.37 . . . . 0.0 111.641 -168.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -71.35 -32.68 68.81 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.806 1.243 . . . . 0.0 110.447 175.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -86.14 -2.57 58.47 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.056 0.942 . . . . 0.0 111.114 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -76.34 -34.26 25.01 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.84 -16.42 60.07 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.036 0.934 . . . . 0.0 111.21 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -83.19 -47.98 11.0 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -41.14 63.47 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.348 1.459 . . . . 0.0 110.711 -170.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.7 -0.21 79.53 Favored Glycine 0 C--N 1.353 1.504 0 C-N-CA 124.159 0.885 . . . . 0.0 113.44 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.34 -25.78 67.5 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -75.29 -36.03 61.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 110.147 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.57 -27.62 51.49 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.1 0.96 . . . . 0.0 110.438 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -74.76 -27.58 60.4 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.315 1.046 . . . . 0.0 110.795 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -67.94 -43.73 78.44 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.891 0.876 . . . . 0.0 110.048 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 23.93 4.73 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.802 0.841 . . . . 0.0 110.843 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -52.33 5.76 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 82.89 -71.79 0.04 OUTLIER 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.519 1.928 . . . . 0.0 111.961 170.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.68 77.35 7.92 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -94.51 6.12 49.76 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.413 1.485 . . . . 0.0 110.42 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -62.27 -26.2 68.27 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.66 1.984 . . . . 0.0 113.42 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.33 -48.0 81.75 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.078 1.351 . . . . 0.0 110.63 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -82.31 -30.1 30.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.206 1.002 . . . . 0.0 110.549 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.38 -34.34 70.32 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.418 1.087 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.33 73.01 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.967 0.907 . . . . 0.0 110.552 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.72 -40.45 69.46 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.316 1.046 . . . . 0.0 110.144 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.61 75.45 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 125.303 1.441 . . . . 0.0 111.683 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.56 73.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 124.454 1.102 . . . . 0.0 110.542 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.38 -36.87 79.79 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.761 0.824 . . . . 0.0 110.522 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.51 70.58 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.295 1.038 . . . . 0.0 112.079 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -74.33 -47.28 35.44 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.026 0.931 . . . . 0.0 110.129 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -70.62 -39.91 73.46 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 123.669 0.788 . . . . 0.0 111.366 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -69.89 -30.58 68.05 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.693 0.797 . . . . 0.0 110.554 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -69.15 -54.34 15.42 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.586 0.755 . . . . 0.0 109.465 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.12 -44.73 83.57 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.2 1.8 . . . . 0.0 111.969 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -75.15 -43.33 53.04 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 123.295 0.638 . . . . 0.0 110.653 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.83 62.79 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -170.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.79 -23.8 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.349 0.977 . . . . 0.0 111.509 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.35 -31.98 60.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.331 0.652 . . . . 0.0 109.862 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.41 -35.93 39.88 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.639 1.176 . . . . 0.0 109.859 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -67.44 -53.36 29.64 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 126.616 1.966 . . . . 0.0 109.897 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -86.34 10.07 16.03 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.264 1.026 . . . . 0.0 111.528 -174.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.33 -27.35 38.4 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -87.89 174.43 8.34 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.771 0 N-CA-C 107.688 -2.165 . . . . 0.0 107.688 179.456 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.279 4.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.037 0 P-O5'-C5' 117.736 -1.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.754 0 P-O5'-C5' 116.501 -2.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 0 P-O5'-C5' 117.585 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.369 0 OP1-P-OP2 116.509 -2.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 P-O5'-C5' 117.608 -2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.135 1 O4'-C1'-N19 114.803 8.754 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 C2'-C3'-O3' 118.571 2.952 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.84 1 P-O3'-C3' 130.433 8.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 P-O5'-C5' 117.583 -2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.351 0 P-O5'-C5' 115.896 -3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 0 O4'-C1'-N19 110.176 2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 O4'-C1'-N19 109.819 2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.336 0 N19-C1'-C2' 118.16 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.771 0 O4'-C1'-N19 109.843 2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.964 0 O5'-C5'-C4' 112.877 1.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.42 0 P-O5'-C5' 115.791 -3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.441 0 P-O5'-C5' 116.743 -2.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 0 P-O5'-C5' 118.159 -1.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.888 0 O5'-C5'-C4' 114.941 3.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.427 0 P-O5'-C5' 116.257 -2.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 0 P-O5'-C5' 116.846 -2.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.168 0 P-O5'-C5' 116.125 -2.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 P-O5'-C5' 114.681 -3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 0 O4'-C1'-N19 110.806 3.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.725 0 O5'-C5'-C4' 112.277 1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -120.51 108.96 14.72 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 55.74 -132.21 1.7 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 126.637 1.975 . . . . 0.0 110.698 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -163.79 122.11 1.25 Allowed Pre-proline 0 N--CA 1.435 -1.211 0 N-CA-C 103.435 -2.802 . . . . 0.0 103.435 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.59 157.75 36.08 Favored 'Trans proline' 0 CA--C 1.508 -0.785 0 C-N-CA 122.669 2.246 . . . . 0.0 110.138 -170.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -116.72 -168.79 1.51 Allowed 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -79.14 120.74 81.73 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.871 -169.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.63 99.11 0.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.138 2.559 . . . . 0.0 111.547 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.77 132.07 13.68 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 168.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 t -165.43 122.81 1.51 Allowed 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 101.51 -3.515 . . . . 0.0 101.51 171.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -31.14 32.67 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 123.42 0.688 . . . . 0.0 110.601 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -68.99 -40.88 78.48 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.145 1.378 . . . . 0.0 109.615 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 tpp -68.07 -32.14 72.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.201 1.001 . . . . 0.0 112.203 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.04 -31.98 63.13 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.219 1.008 . . . . 0.0 110.859 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -72.91 -32.62 65.46 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.967 0.907 . . . . 0.0 110.277 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.1 mt -66.27 -40.14 89.9 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 123.658 0.783 . . . . 0.0 112.489 -175.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -76.94 -24.55 52.4 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.387 0.54 . . . . 0.0 111.138 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.8 t -77.64 -52.49 8.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.875 0.87 . . . . 0.0 108.929 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 28.37 1.91 Allowed 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.061 0.944 . . . . 0.0 110.625 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -73.48 -29.25 62.4 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.912 0.885 . . . . 0.0 110.106 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.2 -23.83 62.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.051 1.34 . . . . 0.0 111.608 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 m -79.15 -48.08 14.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.592 0.757 . . . . 0.0 109.053 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.37 -36.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 C-N-CA 126.301 1.841 . . . . 0.0 111.141 -171.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -75.51 -13.62 60.37 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -91.25 -35.2 14.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.01 -50.88 13.6 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.489 1.116 . . . . 0.0 109.696 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -96.33 147.74 33.41 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -83.88 76.59 3.63 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.922 2.415 . . . . 0.0 111.764 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.22 60.52 4.4 Favored Glycine 0 C--N 1.356 1.691 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 tt -92.91 144.74 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -99.72 167.73 10.37 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.2 m -67.67 -27.13 37.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 124.753 1.221 . . . . 0.0 113.547 -167.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 p -75.61 -28.03 58.7 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.468 1.107 . . . . 0.0 109.919 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -88.53 -21.45 24.11 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.0 1.32 . . . . 0.0 109.965 -176.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.42 -25.8 21.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 124.789 1.235 . . . . 0.0 109.101 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.79 65.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.844 0.857 . . . . 0.0 111.61 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -87.21 52.33 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.339 1.056 . . . . 0.0 109.294 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 57.78 46.07 17.68 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.233 2.213 . . . . 0.0 112.417 172.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.14 -25.14 20.38 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.33 -62.55 2.06 Favored Glycine 0 C--N 1.355 1.605 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.372 11.3 pt-20 66.01 -27.45 0.11 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 129.632 3.173 . . . . 0.0 116.57 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.0 mt -75.07 -8.38 56.39 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 125.902 1.681 . . . . 0.0 111.024 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -70.79 -34.74 72.09 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.665 1.586 . . . . 0.0 110.374 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.607 0.763 . . . . 0.0 110.438 -167.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.58 87.72 2.78 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 170.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.7 tmm? -106.52 -92.91 0.39 Allowed 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -145.53 -91.51 0.1 Allowed 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 102.875 -3.009 . . . . 0.0 102.875 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -128.36 179.81 5.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.32 -2.02 16.92 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.6 m -60.65 -33.35 72.68 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.627 1.971 . . . . 0.0 113.259 -168.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.83 -45.24 86.98 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.366 1.466 . . . . 0.0 111.083 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -82.29 -28.86 31.5 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 124.354 1.062 . . . . 0.0 110.643 -170.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -73.51 -28.78 62.09 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.275 1.03 . . . . 0.0 110.273 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.07 59.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.193 0.997 . . . . 0.0 110.867 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.96 -25.35 52.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.49 0.716 . . . . 0.0 110.365 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.29 59.94 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.986 0.915 . . . . 0.0 111.151 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.22 57.15 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.939 0.896 . . . . 0.0 109.873 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -71.95 -29.16 63.99 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.91 0.884 . . . . 0.0 110.604 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.32 60.64 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.02 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -84.47 -30.97 24.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.722 1.209 . . . . 0.0 109.229 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -74.15 -36.6 64.13 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.88 0.872 . . . . 0.0 109.088 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -75.88 -21.28 57.33 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.264 1.026 . . . . 0.0 110.216 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -68.02 -42.15 81.07 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.309 1.044 . . . . 0.0 109.205 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.8 -35.68 81.37 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 124.83 1.252 . . . . 0.0 110.415 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -71.43 -45.91 61.43 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.088 0.955 . . . . 0.0 110.126 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.68 91.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 125.049 1.34 . . . . 0.0 112.932 -172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.97 -14.88 16.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 122.923 0.489 . . . . 0.0 111.677 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.58 -47.41 40.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.523 0.729 . . . . 0.0 109.612 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.23 -24.0 54.59 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.597 0.759 . . . . 0.0 110.851 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -67.83 -47.46 68.94 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.422 1.489 . . . . 0.0 110.146 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -82.62 -17.84 43.29 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 123.087 0.555 . . . . 0.0 110.821 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.64 -64.63 1.1 Allowed 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.438 0.695 . . . . 0.0 109.205 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -103.1 106.03 16.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.815 0 N-CA-C 106.835 -2.506 . . . . 0.0 106.835 -178.955 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 4.0 0 P-O5'-C5' 117.585 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 0 P-O5'-C5' 116.747 -2.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 P-O5'-C5' 116.806 -2.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.192 0 P-O5'-C5' 115.871 -3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.291 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 113.893 7.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.567 0 C5'-C4'-C3' 110.737 -2.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 0 C5'-C4'-C3' 110.549 -2.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.931 0 O5'-C5'-C4' 112.63 1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.541 0 O5'-C5'-C4' 112.324 1.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.306 3.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 0 O4'-C1'-N19 109.3 1.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 0 N19-C1'-C2' 118.145 2.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.796 0 C1'-O4'-C4' 106.459 -2.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.908 0 O4'-C1'-N19 110.015 2.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 O4'-C1'-N19 110.56 3.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 0 P-O5'-C5' 116.195 -2.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 O4'-C1'-C2' 102.946 -2.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 0 O4'-C1'-N19 110.182 2.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.47 0 O5'-C5'-C4' 112.97 1.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 0 P-O5'-C5' 117.708 -1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.989 0 O5'-C5'-C4' 113.42 2.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O4'-C1'-N19 110.038 2.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.054 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C5'-C4'-C3' 112.415 -1.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 tpp . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -144.89 54.78 1.23 Allowed 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.72 146.88 34.79 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 102.273 -3.232 . . . . 0.0 102.273 175.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -152.14 134.73 8.88 Favored Pre-proline 0 N--CA 1.437 -1.105 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.34 174.14 13.2 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.809 2.339 . . . . 0.0 110.662 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -86.3 148.13 25.75 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -78.4 151.87 78.14 Favored Pre-proline 0 C--N 1.354 0.803 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HB3' ' HA ' ' A' ' 60' ' ' LYS . 75.0 Cg_endo -78.58 165.33 25.12 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 122.57 2.18 . . . . 0.0 108.137 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -142.91 174.81 10.34 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 p -103.71 168.29 9.24 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.63 -31.79 62.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 124.118 0.967 . . . . 0.0 110.0 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.14 -41.28 77.51 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.158 1.383 . . . . 0.0 109.717 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 tpp -66.26 -32.89 74.58 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.673 1.189 . . . . 0.0 111.921 -173.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.87 -30.34 66.69 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.779 1.232 . . . . 0.0 111.754 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -77.96 -27.34 49.22 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 123.198 0.599 . . . . 0.0 110.412 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.4 -34.58 77.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 123.294 0.638 . . . . 0.0 112.095 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -82.41 -22.84 35.16 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.09 0.404 . . . . 0.0 111.909 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -83.06 -39.54 21.05 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.492 0.587 . . . . 0.0 109.828 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.24 8.31 33.81 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.871 0.868 . . . . 0.0 111.088 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.51 -43.89 96.58 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.23 1.812 . . . . 0.0 112.236 -171.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.16 -23.64 63.02 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.831 0.852 . . . . 0.0 112.915 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -77.32 -47.49 19.86 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.19 -37.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 125.958 1.703 . . . . 0.0 111.552 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -70.82 -22.26 62.36 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -88.81 -43.88 10.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.18 -47.01 60.09 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 124.314 1.045 . . . . 0.0 110.595 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.31 139.73 22.12 Favored Pre-proline 0 N--CA 1.442 -0.838 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -82.65 88.1 1.29 Allowed 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.826 2.351 . . . . 0.0 112.879 -163.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 48.92 25.2 Favored Glycine 0 C--N 1.358 1.779 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 170.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.0 tt -86.59 140.06 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 125.001 1.32 . . . . 0.0 110.099 -164.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -93.19 162.97 13.8 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.71 -20.94 26.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 125.259 1.424 . . . . 0.0 114.116 -166.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.3 p -78.24 -24.16 47.08 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.483 1.113 . . . . 0.0 109.899 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.86 -25.16 17.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 125.394 1.478 . . . . 0.0 109.072 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.13 -27.16 31.33 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 125.253 1.421 . . . . 0.0 108.424 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.62 71.03 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.535 0.734 . . . . 0.0 111.508 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -81.94 -52.4 7.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.02 0.528 . . . . 0.0 110.72 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -74.71 -29.27 61.13 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 121.729 -0.607 . . . . 0.0 112.115 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.07 -11.63 82.19 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.22 -25.22 62.0 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.3 -40.41 64.55 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.377 1.071 . . . . 0.0 109.473 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.86 -29.92 56.06 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.261 1.025 . . . . 0.0 110.78 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -70.34 -37.49 74.67 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.156 0.582 . . . . 0.0 110.112 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -59.71 -54.98 40.01 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.861 1.264 . . . . 0.0 111.173 -172.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.85 110.42 17.18 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ptp -134.55 -154.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -88.99 -100.69 0.09 Allowed 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.23 138.54 50.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 10.92 26.16 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 124.471 1.108 . . . . 0.0 108.571 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -59.6 -29.51 68.02 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.509 1.924 . . . . 0.0 113.472 -172.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -64.97 -45.06 87.24 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.198 1.399 . . . . 0.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -83.1 -33.06 26.43 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 124.467 1.107 . . . . 0.0 110.305 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.67 -40.24 80.26 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 124.423 1.089 . . . . 0.0 110.586 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.09 -40.98 82.52 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.933 0.893 . . . . 0.0 111.055 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.01 -45.05 64.64 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.376 1.07 . . . . 0.0 110.41 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.06 89.86 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.035 1.334 . . . . 0.0 112.158 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.6 -36.77 68.2 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.756 0.822 . . . . 0.0 110.752 -175.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -73.6 -35.99 65.46 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.61 -25.7 65.89 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 123.934 0.894 . . . . 0.0 111.334 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 9.7 tmtm? -73.49 -46.13 49.83 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.54 0.736 . . . . 0.0 109.382 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.35 -41.54 93.76 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.027 0.931 . . . . 0.0 110.589 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.37 -46.91 87.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.16 1.784 . . . . 0.0 110.481 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -65.98 -53.64 36.37 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.568 1.147 . . . . 0.0 110.883 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.858 1.663 . . . . 0.0 111.827 -167.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -78.81 -34.57 45.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 123.364 0.665 . . . . 0.0 110.394 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.98 62.51 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.254 0.621 . . . . 0.0 112.651 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.3 m -74.6 -25.31 19.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 118.828 0.74 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -35.4 71.21 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.474 1.11 . . . . 0.0 109.767 175.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -90.38 2.89 55.13 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.398 0.679 . . . . 0.0 111.391 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -85.94 -72.92 0.47 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -116.87 13.14 14.94 Favored 'General case' 0 CA--C 1.503 -0.848 0 C-N-CA 123.882 0.873 . . . . 0.0 109.93 -170.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 69.51 56.57 0.35 Allowed 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.372 1.469 . . . . 0.0 109.664 -175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -101.52 -137.68 0.33 Allowed 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 -177.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.854 0 N-CA-C 106.816 -2.514 . . . . 0.0 106.816 179.63 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.975 0 P-O5'-C5' 117.6 -2.063 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.46 0 P-O5'-C5' 116.744 -2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 P-O5'-C5' 116.768 -2.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 P-O5'-C5' 116.31 -2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 P-O5'-C5' 116.376 -2.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.714 4.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 1 C4'-C3'-C2' 98.919 -4.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 109.877 2.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.982 0 P-O5'-C5' 117.905 -1.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.717 0 O5'-C5'-C4' 112.337 1.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.204 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.676 0 O4'-C1'-N19 109.894 2.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.197 0 N19-C1'-C2' 118.163 2.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 0 C5'-C4'-C3' 109.74 -3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.75 0 O5'-C5'-C4' 112.867 1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.424 0 P-O5'-C5' 115.416 -3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.343 0 P-O5'-C5' 116.025 -3.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 0 O4'-C1'-C2' 103.314 -2.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.406 H2'' ' C8 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.934 0 P-O5'-C5' 117.489 -2.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.406 ' C8 ' H2'' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.821 0 P-O5'-C5' 116.827 -2.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 P-O5'-C5' 117.911 -1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 P-O5'-C5' 116.13 -2.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.22 0 P-O5'-C5' 114.983 -3.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.732 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 0 C5'-C4'-C3' 112.429 -1.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.452 -0.931 0 N-CA-C 110.761 -0.515 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.01 158.18 25.22 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -91.11 166.55 12.92 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.14 67.76 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.494 1.118 . . . . 0.0 111.079 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.73 -35.29 78.48 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.19 0.996 . . . . 0.0 109.265 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -69.23 -36.63 77.4 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.75 1.22 . . . . 0.0 111.708 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.4 -37.56 83.3 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.988 1.315 . . . . 0.0 110.805 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -71.51 -35.77 70.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.865 0.866 . . . . 0.0 110.449 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.47 -37.81 88.82 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.799 0.84 . . . . 0.0 111.326 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -74.69 -37.4 62.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.846 0.858 . . . . 0.0 111.006 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 p -78.19 -38.22 43.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.312 0.645 . . . . 0.0 111.059 -175.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.53 -3.16 58.27 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 123.784 0.833 . . . . 0.0 111.644 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -57.92 -39.43 77.96 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 114.1 -168.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.0 -43.79 94.6 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.193 1.397 . . . . 0.0 110.697 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 -34.81 74.38 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.216 1.007 . . . . 0.0 111.358 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.13 -41.05 58.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 124.252 1.021 . . . . 0.0 109.824 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -7.08 56.2 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -175.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -79.94 -52.58 7.68 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.73 -41.9 43.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.491 0.717 . . . . 0.0 110.428 -170.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -91.73 132.0 34.27 Favored Pre-proline 0 C--N 1.353 0.754 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -81.1 91.85 1.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.971 2.447 . . . . 0.0 112.63 -163.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.14 31.24 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.9 tt -85.19 142.88 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 C-N-CA 124.485 1.114 . . . . 0.0 109.227 -168.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.86 162.88 13.73 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.5 -29.31 47.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 125.507 1.523 . . . . 0.0 113.325 -168.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.9 p -72.28 -29.91 64.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.709 1.204 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -87.67 -21.86 25.02 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.239 1.416 . . . . 0.0 109.775 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.4 t -73.47 -27.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 C-N-CA 124.559 1.144 . . . . 0.0 108.678 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.69 67.58 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.724 0.81 . . . . 0.0 112.13 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -71.3 -57.47 4.44 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 125.176 1.39 . . . . 0.0 109.911 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -76.26 -33.16 59.15 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 123.867 0.867 . . . . 0.0 110.776 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.42 -9.12 86.87 Favored Glycine 0 C--N 1.351 1.366 0 C-N-CA 124.082 0.848 . . . . 0.0 112.021 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -21.91 74.43 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.14 -44.18 39.53 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.837 1.255 . . . . 0.0 109.068 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -74.29 -35.35 63.72 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.74 1.216 . . . . 0.0 111.133 -174.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -56.68 -32.78 65.76 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 126.076 1.751 . . . . 0.0 112.744 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -60.5 -55.44 33.46 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 111.986 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.39 110.69 6.32 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -75.49 0.5 Allowed 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 175.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -136.5 -123.54 0.15 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -95.48 137.7 34.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -90.52 -25.88 20.03 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -67.98 -22.17 65.02 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 111.807 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.936 1.295 . . . . 0.0 109.665 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -81.87 -29.25 32.57 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.03 0.932 . . . . 0.0 110.642 -172.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -67.41 -37.25 82.78 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.811 1.244 . . . . 0.0 110.459 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.79 79.33 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.066 0.946 . . . . 0.0 110.792 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.87 -29.87 61.16 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.826 0.85 . . . . 0.0 111.174 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.41 63.89 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.952 0.901 . . . . 0.0 110.504 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.41 -40.3 67.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.633 1.173 . . . . 0.0 110.314 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.78 -37.38 81.99 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.918 0.887 . . . . 0.0 110.654 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.12 62.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.152 0.981 . . . . 0.0 111.966 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -72.16 -51.18 22.48 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.48 1.112 . . . . 0.0 109.527 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.13 -32.34 59.08 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.744 1.218 . . . . 0.0 110.602 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.75 -43.1 85.03 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.443 1.097 . . . . 0.0 109.348 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.88 -51.64 67.37 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.589 1.156 . . . . 0.0 110.015 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.03 -44.52 91.77 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.263 1.425 . . . . 0.0 112.048 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -73.59 -42.95 60.88 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 110.94 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.66 55.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 m -71.0 -22.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 119.138 0.881 . . . . 0.0 111.043 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.17 -41.2 86.35 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.873 0.869 . . . . 0.0 109.673 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.52 -36.67 52.2 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.384 1.074 . . . . 0.0 110.614 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.32 -46.88 72.2 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.149 1.78 . . . . 0.0 110.657 -175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.444 -0.733 0 C-N-CA 123.568 0.747 . . . . 0.0 111.017 -175.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo . . . . . 0 N--CA 1.451 -0.979 0 N-CA-C 108.444 -1.406 . . . . 0.0 108.444 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -138.08 160.75 38.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.0 t -93.54 161.72 14.25 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.28 65.14 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 124.326 1.05 . . . . 0.0 110.397 -175.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -69.83 -35.87 75.12 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.709 1.204 . . . . 0.0 109.742 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.3 tpp -67.26 -34.62 77.82 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.824 1.25 . . . . 0.0 111.486 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.84 -36.43 75.56 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.935 1.294 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -74.32 -32.63 62.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.778 0.831 . . . . 0.0 110.386 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.6 -45.27 93.65 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.625 0.77 . . . . 0.0 112.152 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -74.15 -29.25 61.7 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.295 0.498 . . . . 0.0 112.234 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -81.01 -38.45 27.46 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.451 0.7 . . . . 0.0 110.413 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 3.12 48.42 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.734 0.814 . . . . 0.0 111.299 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -65.51 -37.04 85.62 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 125.27 1.428 . . . . 0.0 112.934 -169.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.59 -37.37 82.47 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.703 1.201 . . . . 0.0 111.256 -176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 m -71.3 -38.34 71.77 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.4 1.08 . . . . 0.0 110.839 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.48 -41.84 64.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.5 1.12 . . . . 0.0 109.373 -175.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.66 -11.22 60.13 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -77.05 -44.18 31.68 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.98 15.73 27.68 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.235 0.614 . . . . 0.0 111.063 -171.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -134.68 147.09 61.69 Favored Pre-proline 0 C--N 1.353 0.74 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -84.6 82.18 1.85 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.875 2.383 . . . . 0.0 112.119 -168.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.02 9.94 Favored Glycine 0 C--N 1.357 1.741 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 171.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.3 tt -87.2 144.15 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 C-N-CA 123.79 0.836 . . . . 0.0 109.258 -168.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -101.34 163.9 12.04 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.57 -23.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 125.603 1.561 . . . . 0.0 113.585 -164.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.1 p -68.68 -37.94 79.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.579 1.152 . . . . 0.0 110.736 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -94.57 -4.66 47.48 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.386 0.674 . . . . 0.0 110.656 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t -77.88 -33.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 167.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.4 -28.04 62.74 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.866 0.866 . . . . 0.0 110.793 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -70.71 -52.7 19.24 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.697 1.199 . . . . 0.0 109.778 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -77.49 -26.39 51.24 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.888 1.275 . . . . 0.0 111.087 -171.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.45 3.45 85.27 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.807 -0.558 . . . . 0.0 112.084 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.55 -34.72 49.0 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -73.75 -37.51 65.03 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.583 1.153 . . . . 0.0 109.342 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.71 -44.78 66.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.245 1.018 . . . . 0.0 111.031 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -56.77 -33.59 66.77 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.204 1.402 . . . . 0.0 112.679 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -57.83 -47.91 81.29 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.659 1.184 . . . . 0.0 111.551 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.57 109.04 3.61 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.34 -60.87 1.45 Allowed 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -148.67 -98.87 0.08 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -122.25 132.83 54.62 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -28.04 16.52 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.3 p -64.25 -21.25 66.52 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 112.847 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.69 -47.97 81.32 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.111 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -83.73 -30.66 26.52 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.608 1.163 . . . . 0.0 110.374 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -72.39 -28.22 62.86 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.577 1.151 . . . . 0.0 110.931 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.79 72.41 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.786 0.834 . . . . 0.0 110.268 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.19 -39.34 71.86 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 124.695 1.198 . . . . 0.0 110.456 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.73 68.44 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.622 1.169 . . . . 0.0 111.347 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.51 -37.34 71.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 124.121 0.968 . . . . 0.0 110.412 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -70.41 -38.21 74.57 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.842 0.857 . . . . 0.0 109.924 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.26 74.69 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.409 1.083 . . . . 0.0 111.459 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -71.48 -48.2 50.63 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 124.088 0.955 . . . . 0.0 109.376 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.56 -38.58 89.98 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.823 1.249 . . . . 0.0 110.948 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.35 -47.54 76.09 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.17 1.388 . . . . 0.0 109.411 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -60.39 -46.89 88.35 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.265 1.426 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.81 -45.39 92.5 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.305 1.842 . . . . 0.0 110.855 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -76.19 -39.88 53.69 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.236 1.015 . . . . 0.0 110.867 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.81 64.14 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 123.995 0.918 . . . . 0.0 113.036 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 m -71.05 -23.32 23.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-N 119.107 0.867 . . . . 0.0 111.27 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -69.27 -42.03 76.09 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.969 0.908 . . . . 0.0 109.378 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.31 -35.82 54.55 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.538 1.135 . . . . 0.0 110.53 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.89 -46.48 71.53 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.174 1.79 . . . . 0.0 110.371 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 N--CA 1.444 -0.734 0 C-N-CA 123.198 0.599 . . . . 0.0 111.071 -175.313 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 N--CA 1.449 -1.095 0 N-CA-C 108.943 -1.214 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.38 169.49 17.57 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.004 -2.961 . . . . 0.0 103.004 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -91.58 172.43 8.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.21 72.01 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.429 1.092 . . . . 0.0 109.906 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -70.02 -39.58 75.72 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.95 1.3 . . . . 0.0 109.648 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.4 tpp -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 111.82 -171.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.3 mt -67.35 -34.6 77.66 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.585 1.154 . . . . 0.0 111.262 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -72.67 -35.46 67.71 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.573 0.749 . . . . 0.0 110.215 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.22 -34.91 78.47 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.517 0.727 . . . . 0.0 111.18 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -76.77 -31.92 57.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 123.75 0.82 . . . . 0.0 110.957 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 p -79.8 -37.2 35.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.847 0.459 . . . . 0.0 110.428 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.57 14.77 14.03 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.734 0.814 . . . . 0.0 111.131 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -69.05 -40.83 78.31 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.552 1.141 . . . . 0.0 112.369 -168.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.8 -37.44 73.26 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.651 0.781 . . . . 0.0 110.738 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 m -66.85 -41.66 87.01 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.908 1.283 . . . . 0.0 111.506 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.53 -38.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.531 1.133 . . . . 0.0 109.089 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.06 -19.98 61.07 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -76.09 -45.97 31.32 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 118.937 0.789 . . . . 0.0 109.694 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -92.08 23.71 3.64 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.922 0.489 . . . . 0.0 111.7 -171.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -143.36 153.92 59.86 Favored Pre-proline 0 N--CA 1.441 -0.91 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 172.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -86.14 69.31 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.87 2.38 . . . . 0.0 111.532 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 70.37 1.27 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.8 tt -98.97 144.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 124.211 1.004 . . . . 0.0 109.063 -166.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -104.64 170.69 7.74 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.28 -35.44 74.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 C-N-CA 125.016 1.327 . . . . 0.0 114.354 -164.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.4 p -74.39 -27.34 60.6 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 109.954 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.2 -23.44 26.47 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.079 1.352 . . . . 0.0 109.805 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.7 t -71.52 -26.83 26.99 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 C-N-CA 125.22 1.408 . . . . 0.0 108.904 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.08 63.07 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.49 -0.756 . . . . 0.0 111.988 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -77.86 -57.21 3.92 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.717 1.207 . . . . 0.0 109.35 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -73.84 -35.61 64.83 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.715 1.206 . . . . 0.0 110.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.75 -11.21 84.22 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.903 0.763 . . . . 0.0 111.456 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 -26.22 62.62 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.99 -45.81 47.65 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.89 1.276 . . . . 0.0 109.562 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.28 -21.93 49.02 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 111.007 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -75.48 -38.24 59.69 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.982 1.313 . . . . 0.0 109.206 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -68.46 -46.72 69.03 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.689 0.796 . . . . 0.0 110.377 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.87 92.95 4.26 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -132.0 -150.63 0.43 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -87.74 -106.54 0.07 Allowed 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -115.95 158.24 23.34 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -88.92 -27.96 20.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.96 -25.48 65.24 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.74 2.416 . . . . 0.0 113.879 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.35 -43.49 96.43 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 126.225 1.81 . . . . 0.0 110.502 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -90.81 -31.51 16.46 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 124.942 1.297 . . . . 0.0 109.934 -172.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.59 -39.63 88.49 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.344 1.058 . . . . 0.0 111.276 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.99 80.1 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.986 0.914 . . . . 0.0 110.816 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -73.21 -35.53 66.34 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.229 1.012 . . . . 0.0 110.3 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.95 72.02 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.86 1.264 . . . . 0.0 111.431 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.22 -38.87 68.87 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.452 1.101 . . . . 0.0 110.721 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.72 -27.44 58.17 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.618 0.767 . . . . 0.0 110.599 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.42 62.83 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 123.991 0.916 . . . . 0.0 110.401 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.09 -35.51 59.33 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.575 1.15 . . . . 0.0 109.882 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 125.2 1.4 . . . . 0.0 109.587 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.41 -50.16 72.64 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.516 1.526 . . . . 0.0 109.782 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.59 -53.07 62.37 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.99 1.716 . . . . 0.0 111.292 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -60.43 -45.22 94.42 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.58 1.152 . . . . 0.0 111.195 -171.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -75.17 -36.46 61.49 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.285 0.634 . . . . 0.0 111.146 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.46 -30.15 62.99 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.108 0.963 . . . . 0.0 113.418 -172.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.38 -13.43 15.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 CA-C-N 118.75 0.705 . . . . 0.0 112.84 -173.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.04 -36.47 64.4 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.46 -30.44 33.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.477 1.111 . . . . 0.0 110.088 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -71.74 -52.27 18.57 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.495 1.518 . . . . 0.0 108.659 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 . . . . . 0 C--N 1.355 0.813 0 C-N-CA 124.165 0.986 . . . . 0.0 110.037 -177.749 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo . . . . . 0 CA--C 1.51 -0.686 0 CA-C-O 117.813 -0.994 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.58 107.57 5.93 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.465 1.03 . . . . 0.0 110.54 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p -156.91 100.93 1.92 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 103.412 -2.811 . . . . 0.0 103.412 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.75 56.2 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.795 0.838 . . . . 0.0 111.409 -169.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -69.55 -38.19 77.37 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.269 1.427 . . . . 0.0 110.026 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -26.03 63.01 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.282 -176.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.85 -39.84 72.7 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.76 0.824 . . . . 0.0 110.5 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -72.79 -31.9 65.19 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.487 1.115 . . . . 0.0 110.164 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -46.43 86.7 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.797 1.239 . . . . 0.0 110.943 -171.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -74.03 -24.61 59.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.177 0.591 . . . . 0.0 111.97 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -78.83 -45.91 19.83 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.033 0.933 . . . . 0.0 109.36 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.41 2.22 37.61 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.222 1.009 . . . . 0.0 111.509 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -63.57 -34.85 78.73 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.595 1.558 . . . . 0.0 112.533 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -75.11 -29.86 60.7 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.636 0.774 . . . . 0.0 112.214 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.5 p -77.77 -33.62 52.65 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.34 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 126.332 1.853 . . . . 0.0 110.999 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.85 -31.1 70.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.119 0.967 . . . . 0.0 111.84 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -87.35 -34.9 18.66 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 109.862 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.63 -56.87 5.47 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.844 1.258 . . . . 0.0 110.136 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.39 137.76 22.0 Favored Pre-proline 0 N--CA 1.442 -0.826 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -84.19 75.52 3.9 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.046 2.498 . . . . 0.0 111.427 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.13 63.01 2.62 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.4 tt -87.8 153.34 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -80.72 152.65 28.27 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.6 -21.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 124.233 1.013 . . . . 0.0 113.155 -166.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 p -79.97 -28.79 39.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 123.919 0.887 . . . . 0.0 109.798 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.6 -8.28 58.95 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 110.839 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.29 -34.07 56.97 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 C-N-CA 124.638 1.175 . . . . 0.0 108.568 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.35 79.23 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.734 0.814 . . . . 0.0 111.171 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.71 -52.31 57.79 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.946 1.298 . . . . 0.0 111.309 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.58 -16.67 47.61 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.617 0.767 . . . . 0.0 111.114 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.86 -14.73 80.47 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 123.813 0.72 . . . . 0.0 112.057 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.04 63.34 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -74.96 -36.8 62.07 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.486 1.114 . . . . 0.0 109.385 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.58 -22.78 46.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.621 1.169 . . . . 0.0 110.926 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -75.75 -38.73 58.14 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.146 0.979 . . . . 0.0 108.664 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -65.45 -55.26 18.95 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.252 1.021 . . . . 0.0 110.134 -174.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.55 86.1 2.35 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.8 ttm -116.02 -142.82 0.38 Allowed 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -104.67 -99.85 0.32 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 173.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -107.94 140.52 40.95 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -94.81 -20.35 19.54 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 171.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.9 m -60.07 -30.38 69.18 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.169 2.188 . . . . 0.0 113.588 -171.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.97 -46.75 73.69 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.872 1.269 . . . . 0.0 109.396 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -72.41 -34.5 67.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.815 1.246 . . . . 0.0 111.396 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.38 -36.66 68.76 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.496 1.118 . . . . 0.0 110.824 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.39 -30.03 61.79 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.04 0.936 . . . . 0.0 110.757 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -77.31 -29.02 53.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.401 1.081 . . . . 0.0 110.016 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.51 61.02 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.237 1.015 . . . . 0.0 110.055 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.01 -31.71 68.3 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.187 0.995 . . . . 0.0 110.928 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -66.89 -37.18 83.9 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.453 1.101 . . . . 0.0 110.472 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -16.78 63.12 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.146 0.978 . . . . 0.0 112.344 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -75.61 -40.37 56.49 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 124.171 0.988 . . . . 0.0 108.769 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -69.05 -41.92 76.98 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.027 0.931 . . . . 0.0 109.496 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.56 -31.33 72.31 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.352 1.061 . . . . 0.0 111.504 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -64.96 -39.18 93.1 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 110.112 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.24 -35.5 78.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.571 1.148 . . . . 0.0 110.835 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -83.58 -24.94 31.3 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.893 0.477 . . . . 0.0 110.429 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.68 59.51 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.403 1.081 . . . . 0.0 111.656 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.8 m -73.79 -14.95 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 C-N-CA 122.907 0.483 . . . . 0.0 111.608 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -69.12 -47.06 66.1 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.866 0.866 . . . . 0.0 109.174 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -73.58 -29.69 62.55 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.558 1.143 . . . . 0.0 110.952 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.74 -50.73 63.72 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.578 1.551 . . . . 0.0 109.813 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 . . . . . 0 N--CA 1.444 -0.74 0 C-N-CA 123.178 0.591 . . . . 0.0 111.623 -174.855 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo . . . . . 0 N--CA 1.45 -1.043 0 N-CA-C 109.167 -1.128 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.56 -173.18 3.35 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.697 -2.335 . . . . 0.0 104.697 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -125.02 170.51 11.08 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.96 69.09 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.828 1.251 . . . . 0.0 110.612 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -71.01 -33.17 70.11 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.675 1.19 . . . . 0.0 109.678 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -39.32 78.38 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.681 1.192 . . . . 0.0 111.013 -173.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -68.51 -39.95 81.04 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.19 1.396 . . . . 0.0 110.572 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -70.13 -34.81 73.53 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.127 0.971 . . . . 0.0 110.966 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.09 -37.85 86.79 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.371 0.668 . . . . 0.0 111.221 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.18 -27.53 53.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 123.479 0.712 . . . . 0.0 110.321 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -77.17 -58.28 3.37 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.102 0.961 . . . . 0.0 109.135 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.37 53.09 1.14 Allowed 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.302 1.041 . . . . 0.0 108.841 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -93.18 -44.33 8.4 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -74.2 -28.52 61.31 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.528 1.531 . . . . 0.0 110.619 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 p -73.77 -32.49 63.83 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.945 0.898 . . . . 0.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.89 -45.23 77.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.309 1.044 . . . . 0.0 109.077 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -74.15 -14.72 61.0 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -74.61 -48.51 26.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.555 0.742 . . . . 0.0 109.208 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -95.51 26.88 3.65 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.359 0.664 . . . . 0.0 111.011 -172.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.74 152.19 78.39 Favored Pre-proline 0 N--CA 1.443 -0.788 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 171.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -86.42 61.08 4.6 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.368 2.712 . . . . 0.0 111.046 -172.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 65.27 1.64 Allowed Glycine 0 C--N 1.351 1.414 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 tt -87.29 148.55 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -87.64 162.78 16.93 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 m -71.97 -26.17 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 C-N-CA 124.37 1.068 . . . . 0.0 112.578 -167.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.9 m -78.66 -31.34 46.72 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.194 0.997 . . . . 0.0 108.776 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -80.23 -4.67 54.13 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.706 1.202 . . . . 0.0 111.794 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.43 -30.15 38.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 124.345 1.058 . . . . 0.0 108.551 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.46 -11.27 59.83 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.888 0.875 . . . . 0.0 111.86 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -92.68 -55.25 3.45 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -75.43 -27.25 58.89 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.381 0.672 . . . . 0.0 110.946 -170.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.66 -4.17 87.58 Favored Glycine 0 C--N 1.352 1.463 0 C-N-CA 123.632 0.634 . . . . 0.0 112.023 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.46 -25.76 60.5 Favored Glycine 0 C--N 1.355 1.597 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -72.45 -43.52 63.66 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.161 1.385 . . . . 0.0 108.757 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -79.64 -19.87 48.12 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.399 1.48 . . . . 0.0 111.358 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -79.81 -40.97 27.43 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.491 1.117 . . . . 0.0 109.024 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -70.18 -47.77 60.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.307 0.643 . . . . 0.0 109.728 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.73 82.65 2.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -123.22 -149.13 0.42 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.41 -111.26 0.18 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.07 153.04 20.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -109.51 1.83 20.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.6 p -68.23 -30.47 69.53 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.83 1.652 . . . . 0.0 112.473 -171.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.93 -41.88 81.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.089 1.356 . . . . 0.0 110.435 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -85.73 -34.19 21.29 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 124.181 0.992 . . . . 0.0 110.645 -168.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -76.83 -26.75 54.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 122.784 0.434 . . . . 0.0 111.036 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.08 -32.01 50.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.926 0.89 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.04 -40.28 62.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.164 1.386 . . . . 0.0 109.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.53 69.09 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.873 1.269 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.58 -26.98 61.91 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.705 1.202 . . . . 0.0 111.505 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -70.65 -43.91 68.19 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.73 -20.48 62.64 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.131 0.972 . . . . 0.0 111.649 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -76.01 -43.03 46.17 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.093 1.357 . . . . 0.0 109.698 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.96 -47.29 46.72 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.615 1.166 . . . . 0.0 109.085 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.515 1.126 . . . . 0.0 111.739 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.71 -58.54 3.55 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.63 -38.43 87.64 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.511 1.524 . . . . 0.0 111.529 -172.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -70.24 -46.88 63.54 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.433 1.093 . . . . 0.0 110.581 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.9 -33.29 62.01 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 123.282 0.633 . . . . 0.0 112.606 -171.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 m -69.03 -26.5 32.42 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 119.163 0.892 . . . . 0.0 111.141 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -69.38 -42.43 75.18 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.747 0.819 . . . . 0.0 109.603 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.06 -33.28 51.0 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.884 1.273 . . . . 0.0 110.603 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.01 -49.29 62.46 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.103 1.761 . . . . 0.0 109.814 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 N--CA 1.443 -0.795 0 C-N-CA 123.68 0.792 . . . . 0.0 111.392 -174.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 109.81 -0.881 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp 55.75 91.33 0.03 OUTLIER 'General case' 0 C--N 1.357 0.934 0 C-N-CA 127.361 2.265 . . . . 0.0 112.599 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -88.8 153.97 20.65 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.81 74.0 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.439 1.095 . . . . 0.0 110.953 -174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.89 -36.99 75.88 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.024 1.33 . . . . 0.0 109.775 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 tpp -69.56 -33.85 73.35 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.272 1.029 . . . . 0.0 111.231 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.2 -31.96 64.5 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.133 0.973 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -73.4 -33.69 65.13 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.677 0.791 . . . . 0.0 110.117 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.7 -41.27 98.13 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -74.83 -24.16 58.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 118.798 0.726 . . . . 0.0 111.691 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -76.91 -46.77 23.13 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.346 1.058 . . . . 0.0 108.742 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.74 58.4 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.319 1.047 . . . . 0.0 112.142 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -50.41 -48.57 56.03 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.372 2.269 . . . . 0.0 113.121 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.43 -35.58 75.83 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.612 1.165 . . . . 0.0 111.195 -169.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.0 m -72.3 -38.37 68.76 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.438 1.095 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.14 -36.7 74.47 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 125.078 1.351 . . . . 0.0 109.915 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -80.47 -4.75 54.98 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -83.1 -36.46 24.82 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.34 -53.64 6.15 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.27 1.028 . . . . 0.0 109.665 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -87.59 143.0 33.27 Favored Pre-proline 0 N--CA 1.443 -0.775 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 -175.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -81.13 86.69 1.58 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.013 2.475 . . . . 0.0 112.455 -162.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 50.61 37.77 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 tt -85.23 142.39 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 123.884 0.874 . . . . 0.0 109.055 -169.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -93.66 161.69 14.24 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.23 -21.74 26.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -166.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 p -73.16 -30.11 63.34 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.856 1.262 . . . . 0.0 110.035 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -94.19 -17.29 22.87 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 125.469 1.508 . . . . 0.0 109.354 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -73.43 -24.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 124.82 1.248 . . . . 0.0 108.246 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.58 68.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.433 -0.792 . . . . 0.0 111.6 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -71.62 -52.4 18.19 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.016 0.926 . . . . 0.0 109.803 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -75.92 -36.77 59.28 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.048 0.939 . . . . 0.0 110.536 -172.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.81 -7.26 87.55 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 124.393 0.997 . . . . 0.0 111.951 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.43 -27.56 59.26 Favored Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.83 -37.15 41.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.279 1.432 . . . . 0.0 108.985 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.86 -29.48 58.55 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.722 1.209 . . . . 0.0 111.188 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -72.96 -36.48 67.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.928 1.291 . . . . 0.0 109.71 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 -66.51 -48.2 70.52 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.463 1.105 . . . . 0.0 110.528 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.85 81.99 1.55 Allowed 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -113.84 -137.91 0.37 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -114.02 -120.93 0.3 Allowed 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 104.041 -2.577 . . . . 0.0 104.041 173.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -90.61 153.16 20.53 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -106.4 -2.71 21.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -63.02 -33.18 74.88 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.067 2.147 . . . . 0.0 111.48 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.86 -45.67 92.77 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.435 1.494 . . . . 0.0 111.072 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -82.82 -29.83 29.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.308 1.043 . . . . 0.0 111.093 -170.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.77 -33.84 62.35 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.777 0.831 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.81 -26.19 59.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.199 1.0 . . . . 0.0 110.765 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -75.7 -35.28 60.35 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.975 0.91 . . . . 0.0 109.049 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.89 4.67 24.65 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.79 1.236 . . . . 0.0 111.602 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.8 48.77 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.645 0.778 . . . . 0.0 109.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -77.77 -18.13 56.77 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.129 0.972 . . . . 0.0 110.502 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.2 45.83 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 123.111 0.564 . . . . 0.0 109.9 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.6 -39.9 57.24 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.07 1.348 . . . . 0.0 108.153 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.12 -42.11 89.61 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.378 1.471 . . . . 0.0 109.944 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.16 -23.35 59.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.463 1.105 . . . . 0.0 111.155 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.93 -40.81 94.61 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.14 -46.87 87.23 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.639 1.576 . . . . 0.0 110.711 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -79.39 -30.52 42.52 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.494 0.718 . . . . 0.0 110.697 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.1 67.9 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.025 1.33 . . . . 0.0 111.826 -175.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.31 -19.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 C-N-CA 122.773 0.429 . . . . 0.0 111.881 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -74.13 -34.16 63.8 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.726 0.81 . . . . 0.0 110.099 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -82.27 -31.25 30.18 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.851 0.86 . . . . 0.0 110.218 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -69.64 -52.12 28.75 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.599 1.56 . . . . 0.0 110.118 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 . . . . . 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 110.817 -174.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 CA-C-O 119.158 -0.434 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.4 139.91 17.83 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -171.83 127.34 0.61 Allowed 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.16 -37.98 25.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 123.197 0.599 . . . . 0.0 110.302 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.02 -39.36 83.16 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.441 1.496 . . . . 0.0 110.488 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 tpp -73.28 -28.96 62.41 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 123.029 0.532 . . . . 0.0 111.739 -169.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.99 -32.59 65.26 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.278 1.031 . . . . 0.0 110.53 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -72.02 -31.16 65.93 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.492 1.117 . . . . 0.0 110.302 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.91 -26.92 64.39 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.536 0.734 . . . . 0.0 111.406 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -77.18 -29.81 54.59 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.498 0.719 . . . . 0.0 109.95 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.4 t -75.03 -45.23 43.08 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.294 1.037 . . . . 0.0 109.371 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.85 8.39 23.11 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.127 0.971 . . . . 0.0 111.686 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -66.76 -39.62 87.95 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.844 1.258 . . . . 0.0 111.757 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -65.64 -48.06 73.48 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.011 1.324 . . . . 0.0 110.16 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -66.99 -43.23 83.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.727 1.211 . . . . 0.0 112.237 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.3 -32.78 59.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 125.091 1.356 . . . . 0.0 110.967 -174.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -63.98 -42.57 97.2 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.133 0.973 . . . . 0.0 112.258 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.5 -31.38 24.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 C-N-CA 122.285 0.234 . . . . 0.0 111.14 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.62 -54.62 9.81 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.726 0.811 . . . . 0.0 110.684 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.86 137.6 33.44 Favored Pre-proline 0 C--N 1.353 0.726 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.78 91.25 1.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.171 2.58 . . . . 0.0 112.201 -163.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.27 50.2 13.15 Favored Glycine 0 C--N 1.354 1.558 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 tt -84.65 144.67 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -88.44 157.57 18.63 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -72.9 -19.99 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 C-N-CA 124.668 1.187 . . . . 0.0 112.667 -168.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.2 p -78.54 -30.25 46.87 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.173 0.989 . . . . 0.0 109.769 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.4 -4.27 59.11 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.572 1.149 . . . . 0.0 111.03 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.76 -27.59 28.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 125.088 1.355 . . . . 0.0 108.452 173.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -13.38 60.07 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.734 0.813 . . . . 0.0 111.9 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -86.12 -58.04 2.79 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -71.06 -31.08 67.39 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.758 1.223 . . . . 0.0 111.776 -169.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.85 -7.03 87.84 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.48 -25.27 57.2 Favored Glycine 0 C--N 1.355 1.587 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.04 -37.67 66.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.37 1.468 . . . . 0.0 108.945 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.16 -28.83 31.91 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.046 1.338 . . . . 0.0 111.12 -176.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.02 -34.07 68.54 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.672 1.189 . . . . 0.0 109.997 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -45.44 78.27 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.881 0.873 . . . . 0.0 110.022 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.03 73.35 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -117.59 -139.97 0.36 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -117.21 -124.09 0.29 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -91.95 160.55 15.21 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.775 0.83 . . . . 0.0 108.91 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -3.6 49.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.05 0.94 . . . . 0.0 108.481 174.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 t -63.38 -30.79 71.86 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 126.497 1.919 . . . . 0.0 112.16 -170.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.9 -44.06 90.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.284 1.033 . . . . 0.0 110.712 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.69 -31.35 22.52 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.785 0.834 . . . . 0.0 111.997 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -79.21 -25.02 42.73 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.542 0.61 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.04 -29.91 55.42 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 123.819 0.848 . . . . 0.0 109.847 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -77.08 -26.3 53.29 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.201 1.001 . . . . 0.0 109.761 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.79 -6.94 57.25 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.536 1.134 . . . . 0.0 111.413 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.33 -20.95 54.16 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.874 0.869 . . . . 0.0 110.314 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -70.41 -35.96 73.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.482 1.113 . . . . 0.0 108.791 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.88 63.63 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.565 1.146 . . . . 0.0 112.301 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.329 1.051 . . . . 0.0 109.863 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.69 -28.65 60.91 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.872 1.269 . . . . 0.0 109.512 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.69 -37.49 67.85 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 109.625 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -64.38 -34.83 79.08 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 126.603 1.961 . . . . 0.0 110.761 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.34 -39.54 83.5 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.599 1.56 . . . . 0.0 111.138 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -83.48 -36.07 24.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -32.03 72.23 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 112.96 -172.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.04 -22.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 O-C-N 121.96 -0.462 . . . . 0.0 111.59 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -74.0 -32.88 63.59 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 121.644 -0.66 . . . . 0.0 110.078 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.86 -39.09 64.21 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.288 1.035 . . . . 0.0 109.88 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -65.97 -48.8 70.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.966 1.706 . . . . 0.0 110.473 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 . . . . . 0 C--N 1.353 0.724 0 C-N-CA 122.994 0.518 . . . . 0.0 111.221 -173.259 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.45 -1.043 0 N-CA-C 108.663 -1.322 . . . . 0.0 108.663 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 mt -139.37 158.74 43.62 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 t -115.54 160.06 20.44 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.06 72.65 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.651 1.18 . . . . 0.0 110.696 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.01 -40.51 78.64 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.764 1.226 . . . . 0.0 109.682 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.7 mmm -78.03 -21.71 50.31 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 122.909 0.484 . . . . 0.0 112.1 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 mt -76.79 -34.07 58.0 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.565 0.746 . . . . 0.0 110.324 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -73.68 -28.17 61.61 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 123.635 0.774 . . . . 0.0 109.628 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.744 1.218 . . . . 0.0 111.35 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -76.09 -29.29 57.88 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.32 0.648 . . . . 0.0 112.12 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -78.77 -36.7 42.59 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 122.844 0.457 . . . . 0.0 109.792 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.03 14.51 17.54 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.805 0.842 . . . . 0.0 110.736 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -77.69 -37.64 49.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.254 -0.904 . . . . 0.0 109.438 -175.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.46 -30.85 67.78 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.723 1.209 . . . . 0.0 112.04 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -75.16 -47.27 29.26 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 122.877 0.471 . . . . 0.0 110.011 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.73 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.187 1.395 . . . . 0.0 110.931 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -18.9 60.58 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -93.18 -35.25 13.25 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.677 0.671 . . . . 0.0 109.926 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.08 -46.88 61.0 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.661 0.784 . . . . 0.0 110.447 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -88.67 141.75 30.33 Favored Pre-proline 0 C--N 1.352 0.706 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.14 80.73 2.54 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.968 2.445 . . . . 0.0 111.637 -165.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.37 56.97 4.87 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 175.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 tt -80.87 148.26 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -81.58 154.73 26.05 Favored 'General case' 0 CA--C 1.501 -0.924 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.09 -28.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 125.125 1.37 . . . . 0.0 111.641 -168.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -71.35 -32.68 68.81 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.806 1.243 . . . . 0.0 110.447 175.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -86.14 -2.57 58.47 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.056 0.942 . . . . 0.0 111.114 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -76.34 -34.26 25.01 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.84 -16.42 60.07 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.036 0.934 . . . . 0.0 111.21 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -83.19 -47.98 11.0 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -41.14 63.47 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.348 1.459 . . . . 0.0 110.711 -170.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.7 -0.21 79.53 Favored Glycine 0 C--N 1.353 1.504 0 C-N-CA 124.159 0.885 . . . . 0.0 113.44 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.34 -25.78 67.5 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -75.29 -36.03 61.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 110.147 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.57 -27.62 51.49 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.1 0.96 . . . . 0.0 110.438 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -74.76 -27.58 60.4 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.315 1.046 . . . . 0.0 110.795 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -67.94 -43.73 78.44 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.891 0.876 . . . . 0.0 110.048 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 23.93 4.73 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.802 0.841 . . . . 0.0 110.843 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -52.33 5.76 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 82.89 -71.79 0.04 OUTLIER 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.519 1.928 . . . . 0.0 111.961 170.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.68 77.35 7.92 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -94.51 6.12 49.76 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.413 1.485 . . . . 0.0 110.42 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -62.27 -26.2 68.27 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.66 1.984 . . . . 0.0 113.42 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.33 -48.0 81.75 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.078 1.351 . . . . 0.0 110.63 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -82.31 -30.1 30.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.206 1.002 . . . . 0.0 110.549 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.38 -34.34 70.32 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.418 1.087 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.33 73.01 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.967 0.907 . . . . 0.0 110.552 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.72 -40.45 69.46 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.316 1.046 . . . . 0.0 110.144 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.61 75.45 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 125.303 1.441 . . . . 0.0 111.683 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.56 73.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 124.454 1.102 . . . . 0.0 110.542 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.38 -36.87 79.79 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.761 0.824 . . . . 0.0 110.522 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.51 70.58 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.295 1.038 . . . . 0.0 112.079 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -74.33 -47.28 35.44 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.026 0.931 . . . . 0.0 110.129 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -70.62 -39.91 73.46 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 123.669 0.788 . . . . 0.0 111.366 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -69.89 -30.58 68.05 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.693 0.797 . . . . 0.0 110.554 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -69.15 -54.34 15.42 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.586 0.755 . . . . 0.0 109.465 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.12 -44.73 83.57 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.2 1.8 . . . . 0.0 111.969 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -75.15 -43.33 53.04 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 123.295 0.638 . . . . 0.0 110.653 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.83 62.79 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -170.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.79 -23.8 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.349 0.977 . . . . 0.0 111.509 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.35 -31.98 60.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.331 0.652 . . . . 0.0 109.862 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.41 -35.93 39.88 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.639 1.176 . . . . 0.0 109.859 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -67.44 -53.36 29.64 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 126.616 1.966 . . . . 0.0 109.897 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 C--N 1.354 0.771 0 C-N-CA 124.264 1.026 . . . . 0.0 111.528 -174.245 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.452 -0.937 0 CA-C-O 119.125 -0.448 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.77 132.07 13.68 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 168.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 t -165.43 122.81 1.51 Allowed 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 101.51 -3.515 . . . . 0.0 101.51 171.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -31.14 32.67 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 123.42 0.688 . . . . 0.0 110.601 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -68.99 -40.88 78.48 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.145 1.378 . . . . 0.0 109.615 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 tpp -68.07 -32.14 72.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.201 1.001 . . . . 0.0 112.203 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.04 -31.98 63.13 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.219 1.008 . . . . 0.0 110.859 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -72.91 -32.62 65.46 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.967 0.907 . . . . 0.0 110.277 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.1 mt -66.27 -40.14 89.9 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 123.658 0.783 . . . . 0.0 112.489 -175.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -76.94 -24.55 52.4 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.387 0.54 . . . . 0.0 111.138 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.8 t -77.64 -52.49 8.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.875 0.87 . . . . 0.0 108.929 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 28.37 1.91 Allowed 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.061 0.944 . . . . 0.0 110.625 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -73.48 -29.25 62.4 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.912 0.885 . . . . 0.0 110.106 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.2 -23.83 62.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.051 1.34 . . . . 0.0 111.608 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 m -79.15 -48.08 14.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.592 0.757 . . . . 0.0 109.053 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.37 -36.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 C-N-CA 126.301 1.841 . . . . 0.0 111.141 -171.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -75.51 -13.62 60.37 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -91.25 -35.2 14.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.01 -50.88 13.6 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.489 1.116 . . . . 0.0 109.696 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -96.33 147.74 33.41 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -83.88 76.59 3.63 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.922 2.415 . . . . 0.0 111.764 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.22 60.52 4.4 Favored Glycine 0 C--N 1.356 1.691 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 tt -92.91 144.74 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -99.72 167.73 10.37 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.2 m -67.67 -27.13 37.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 124.753 1.221 . . . . 0.0 113.547 -167.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 p -75.61 -28.03 58.7 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.468 1.107 . . . . 0.0 109.919 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -88.53 -21.45 24.11 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.0 1.32 . . . . 0.0 109.965 -176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.42 -25.8 21.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 124.789 1.235 . . . . 0.0 109.101 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.79 65.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.844 0.857 . . . . 0.0 111.61 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -87.21 52.33 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.339 1.056 . . . . 0.0 109.294 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 57.78 46.07 17.68 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.233 2.213 . . . . 0.0 112.417 172.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.14 -25.14 20.38 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.33 -62.55 2.06 Favored Glycine 0 C--N 1.355 1.605 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.372 11.3 pt-20 66.01 -27.45 0.11 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 129.632 3.173 . . . . 0.0 116.57 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.0 mt -75.07 -8.38 56.39 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 125.902 1.681 . . . . 0.0 111.024 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -70.79 -34.74 72.09 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.665 1.586 . . . . 0.0 110.374 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.607 0.763 . . . . 0.0 110.438 -167.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.58 87.72 2.78 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 170.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.7 tmm? -106.52 -92.91 0.39 Allowed 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -145.53 -91.51 0.1 Allowed 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 102.875 -3.009 . . . . 0.0 102.875 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -128.36 179.81 5.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.32 -2.02 16.92 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.6 m -60.65 -33.35 72.68 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.627 1.971 . . . . 0.0 113.259 -168.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.83 -45.24 86.98 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.366 1.466 . . . . 0.0 111.083 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -82.29 -28.86 31.5 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 124.354 1.062 . . . . 0.0 110.643 -170.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -73.51 -28.78 62.09 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.275 1.03 . . . . 0.0 110.273 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.07 59.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.193 0.997 . . . . 0.0 110.867 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.96 -25.35 52.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.49 0.716 . . . . 0.0 110.365 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.29 59.94 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.986 0.915 . . . . 0.0 111.151 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.22 57.15 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.939 0.896 . . . . 0.0 109.873 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -71.95 -29.16 63.99 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.91 0.884 . . . . 0.0 110.604 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.32 60.64 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.02 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -84.47 -30.97 24.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.722 1.209 . . . . 0.0 109.229 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -74.15 -36.6 64.13 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.88 0.872 . . . . 0.0 109.088 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -75.88 -21.28 57.33 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.264 1.026 . . . . 0.0 110.216 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -68.02 -42.15 81.07 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.309 1.044 . . . . 0.0 109.205 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.8 -35.68 81.37 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 124.83 1.252 . . . . 0.0 110.415 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -71.43 -45.91 61.43 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.088 0.955 . . . . 0.0 110.126 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.68 91.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 125.049 1.34 . . . . 0.0 112.932 -172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.97 -14.88 16.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 122.923 0.489 . . . . 0.0 111.677 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.58 -47.41 40.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.523 0.729 . . . . 0.0 109.612 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.23 -24.0 54.59 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.597 0.759 . . . . 0.0 110.851 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -67.83 -47.46 68.94 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.422 1.489 . . . . 0.0 110.146 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.444 -0.746 0 C-N-CA 123.087 0.555 . . . . 0.0 110.821 -176.424 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HB3' ' HA ' ' A' ' 60' ' ' LYS . 75.0 Cg_endo . . . . . 0 N--CA 1.448 -1.186 0 N-CA-C 108.137 -1.524 . . . . 0.0 108.137 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -142.91 174.81 10.34 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 p -103.71 168.29 9.24 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.63 -31.79 62.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 124.118 0.967 . . . . 0.0 110.0 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.14 -41.28 77.51 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.158 1.383 . . . . 0.0 109.717 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 tpp -66.26 -32.89 74.58 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.673 1.189 . . . . 0.0 111.921 -173.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.87 -30.34 66.69 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.779 1.232 . . . . 0.0 111.754 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -77.96 -27.34 49.22 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 123.198 0.599 . . . . 0.0 110.412 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.4 -34.58 77.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 123.294 0.638 . . . . 0.0 112.095 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -82.41 -22.84 35.16 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.09 0.404 . . . . 0.0 111.909 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -83.06 -39.54 21.05 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.492 0.587 . . . . 0.0 109.828 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.24 8.31 33.81 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.871 0.868 . . . . 0.0 111.088 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.51 -43.89 96.58 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.23 1.812 . . . . 0.0 112.236 -171.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.16 -23.64 63.02 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.831 0.852 . . . . 0.0 112.915 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -77.32 -47.49 19.86 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.19 -37.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 125.958 1.703 . . . . 0.0 111.552 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -70.82 -22.26 62.36 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -88.81 -43.88 10.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.18 -47.01 60.09 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 124.314 1.045 . . . . 0.0 110.595 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.31 139.73 22.12 Favored Pre-proline 0 N--CA 1.442 -0.838 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -82.65 88.1 1.29 Allowed 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.826 2.351 . . . . 0.0 112.879 -163.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 48.92 25.2 Favored Glycine 0 C--N 1.358 1.779 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 170.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.0 tt -86.59 140.06 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 125.001 1.32 . . . . 0.0 110.099 -164.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -93.19 162.97 13.8 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.71 -20.94 26.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 125.259 1.424 . . . . 0.0 114.116 -166.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.3 p -78.24 -24.16 47.08 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.483 1.113 . . . . 0.0 109.899 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.86 -25.16 17.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 125.394 1.478 . . . . 0.0 109.072 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.13 -27.16 31.33 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 125.253 1.421 . . . . 0.0 108.424 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.62 71.03 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.535 0.734 . . . . 0.0 111.508 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -81.94 -52.4 7.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.02 0.528 . . . . 0.0 110.72 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -74.71 -29.27 61.13 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 121.729 -0.607 . . . . 0.0 112.115 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.07 -11.63 82.19 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.22 -25.22 62.0 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.3 -40.41 64.55 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.377 1.071 . . . . 0.0 109.473 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.86 -29.92 56.06 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.261 1.025 . . . . 0.0 110.78 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -70.34 -37.49 74.67 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.156 0.582 . . . . 0.0 110.112 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -59.71 -54.98 40.01 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.861 1.264 . . . . 0.0 111.173 -172.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.85 110.42 17.18 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ptp -134.55 -154.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -88.99 -100.69 0.09 Allowed 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.23 138.54 50.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 10.92 26.16 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 124.471 1.108 . . . . 0.0 108.571 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -59.6 -29.51 68.02 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.509 1.924 . . . . 0.0 113.472 -172.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -64.97 -45.06 87.24 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.198 1.399 . . . . 0.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -83.1 -33.06 26.43 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 124.467 1.107 . . . . 0.0 110.305 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.67 -40.24 80.26 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 124.423 1.089 . . . . 0.0 110.586 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.09 -40.98 82.52 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.933 0.893 . . . . 0.0 111.055 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.01 -45.05 64.64 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.376 1.07 . . . . 0.0 110.41 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.06 89.86 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.035 1.334 . . . . 0.0 112.158 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.6 -36.77 68.2 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.756 0.822 . . . . 0.0 110.752 -175.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -73.6 -35.99 65.46 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.61 -25.7 65.89 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 123.934 0.894 . . . . 0.0 111.334 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 9.7 tmtm? -73.49 -46.13 49.83 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.54 0.736 . . . . 0.0 109.382 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.35 -41.54 93.76 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.027 0.931 . . . . 0.0 110.589 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.37 -46.91 87.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.16 1.784 . . . . 0.0 110.481 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -65.98 -53.64 36.37 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.568 1.147 . . . . 0.0 110.883 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.858 1.663 . . . . 0.0 111.827 -167.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -78.81 -34.57 45.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 123.364 0.665 . . . . 0.0 110.394 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.98 62.51 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.254 0.621 . . . . 0.0 112.651 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.3 m -74.6 -25.31 19.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 118.828 0.74 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -35.4 71.21 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.474 1.11 . . . . 0.0 109.767 175.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -90.38 2.89 55.13 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.398 0.679 . . . . 0.0 111.391 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -85.94 -72.92 0.47 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 CA--C 1.503 -0.848 0 C-N-CA 123.882 0.873 . . . . 0.0 109.93 -170.067 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.4 mtt . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -93.45 78.8 4.39 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 105.668 -1.975 . . . . 0.0 105.668 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.68 174.03 15.87 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 -175.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -150.02 139.41 13.15 Favored Pre-proline 0 N--CA 1.436 -1.144 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.91 164.55 31.51 Favored 'Trans proline' 0 CA--C 1.508 -0.814 0 C-N-CA 122.644 2.23 . . . . 0.0 110.457 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -103.17 153.5 20.28 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -83.5 155.11 66.01 Favored Pre-proline 0 N--CA 1.442 -0.874 0 C-N-CA 124.081 0.952 . . . . 0.0 109.016 -171.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -81.97 100.66 1.09 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.052 2.502 . . . . 0.0 110.761 -172.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.01 158.18 25.22 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -91.11 166.55 12.92 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.3 -40.14 67.76 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 124.494 1.118 . . . . 0.0 111.079 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -67.73 -35.29 78.48 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.19 0.996 . . . . 0.0 109.265 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -69.23 -36.63 77.4 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.75 1.22 . . . . 0.0 111.708 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.3 mt -67.4 -37.56 83.3 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.988 1.315 . . . . 0.0 110.805 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -71.51 -35.77 70.86 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 123.865 0.866 . . . . 0.0 110.449 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.5 mt -64.47 -37.81 88.82 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 123.799 0.84 . . . . 0.0 111.326 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -74.69 -37.4 62.64 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.846 0.858 . . . . 0.0 111.006 -175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.9 p -78.19 -38.22 43.83 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.312 0.645 . . . . 0.0 111.059 -175.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.53 -3.16 58.27 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 123.784 0.833 . . . . 0.0 111.644 -176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 ttp85 -57.92 -39.43 77.96 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 114.1 -168.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.0 -43.79 94.6 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.193 1.397 . . . . 0.0 110.697 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.3 m -69.73 -34.81 74.38 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.216 1.007 . . . . 0.0 111.358 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.8 mt -73.13 -41.05 58.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 C-N-CA 124.252 1.021 . . . . 0.0 109.824 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -7.08 56.2 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -175.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -79.94 -52.58 7.68 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.73 -41.9 43.32 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 123.491 0.717 . . . . 0.0 110.428 -170.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -91.73 132.0 34.27 Favored Pre-proline 0 C--N 1.353 0.754 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -81.1 91.85 1.1 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.971 2.447 . . . . 0.0 112.63 -163.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.89 50.14 31.24 Favored Glycine 0 C--N 1.356 1.676 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 171.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.9 tt -85.19 142.88 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.025 0 C-N-CA 124.485 1.114 . . . . 0.0 109.227 -168.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -93.86 162.88 13.73 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 p -64.5 -29.31 47.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 C-N-CA 125.507 1.523 . . . . 0.0 113.325 -168.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.9 p -72.28 -29.91 64.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.709 1.204 . . . . 0.0 110.086 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -87.67 -21.86 25.02 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.239 1.416 . . . . 0.0 109.775 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.4 t -73.47 -27.66 23.91 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 C-N-CA 124.559 1.144 . . . . 0.0 108.678 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.69 67.58 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.724 0.81 . . . . 0.0 112.13 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -71.3 -57.47 4.44 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 125.176 1.39 . . . . 0.0 109.911 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -76.26 -33.16 59.15 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 123.867 0.867 . . . . 0.0 110.776 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.42 -9.12 86.87 Favored Glycine 0 C--N 1.351 1.366 0 C-N-CA 124.082 0.848 . . . . 0.0 112.021 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -21.91 74.43 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.456 -1.057 . . . . 0.0 110.456 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -76.14 -44.18 39.53 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 124.837 1.255 . . . . 0.0 109.068 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -74.29 -35.35 63.72 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 124.74 1.216 . . . . 0.0 111.133 -174.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -56.68 -32.78 65.76 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 126.076 1.751 . . . . 0.0 112.744 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -60.5 -55.44 33.46 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.76 1.224 . . . . 0.0 111.986 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -141.39 110.69 6.32 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -75.49 0.5 Allowed 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 175.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -136.5 -123.54 0.15 Allowed 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -95.48 137.7 34.17 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -90.52 -25.88 20.03 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 107.194 -1.409 . . . . 0.0 107.194 169.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -67.98 -22.17 65.02 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.316 1.846 . . . . 0.0 111.807 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 124.936 1.295 . . . . 0.0 109.665 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -81.87 -29.25 32.57 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.03 0.932 . . . . 0.0 110.642 -172.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -67.41 -37.25 82.78 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 124.811 1.244 . . . . 0.0 110.459 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.79 79.33 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.066 0.946 . . . . 0.0 110.792 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.87 -29.87 61.16 Favored 'General case' 0 N--CA 1.443 -0.775 0 C-N-CA 123.826 0.85 . . . . 0.0 111.174 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.12 -34.41 63.89 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.952 0.901 . . . . 0.0 110.504 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.41 -40.3 67.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 124.633 1.173 . . . . 0.0 110.314 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -67.78 -37.38 81.99 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.918 0.887 . . . . 0.0 110.654 177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.2 -22.12 62.96 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.152 0.981 . . . . 0.0 111.966 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -72.16 -51.18 22.48 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.48 1.112 . . . . 0.0 109.527 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.13 -32.34 59.08 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.744 1.218 . . . . 0.0 110.602 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.75 -43.1 85.03 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 124.443 1.097 . . . . 0.0 109.348 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -61.88 -51.64 67.37 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 124.589 1.156 . . . . 0.0 110.015 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.03 -44.52 91.77 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.263 1.425 . . . . 0.0 112.048 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -73.59 -42.95 60.88 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 123.792 0.837 . . . . 0.0 110.94 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.66 55.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -169.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 m -71.0 -22.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 119.138 0.881 . . . . 0.0 111.043 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -67.17 -41.2 86.35 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.873 0.869 . . . . 0.0 109.673 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -77.52 -36.67 52.2 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.384 1.074 . . . . 0.0 110.614 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -67.32 -46.88 72.2 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.149 1.78 . . . . 0.0 110.657 -175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -82.32 -19.21 39.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 123.568 0.747 . . . . 0.0 111.017 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.52 -65.67 0.93 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -103.9 105.2 15.31 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.756 0 N-CA-C 105.978 -2.849 . . . . 0.0 105.978 -179.525 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 1 O4'-C1'-N19 111.062 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.983 0 P-O5'-C5' 117.493 -2.13 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.526 0 P-O5'-C5' 116.755 -2.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.977 0 P-O5'-C5' 117.006 -2.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 P-O5'-C5' 115.638 -3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 0 O4'-C1'-N19 110.354 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.625 4.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 C4'-C3'-C2' 99.242 -3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 C5'-C4'-C3' 110.336 -2.909 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.907 0 P-O5'-C5' 117.157 -2.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.575 0 O5'-C5'-C4' 112.204 1.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-N19 110.106 2.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.498 0 O4'-C1'-N19 109.596 2.245 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.231 0 N19-C1'-C2' 118.111 2.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.843 0 C1'-O4'-C4' 106.167 -2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.059 0 O5'-C5'-C4' 112.745 1.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 P-O5'-C5' 115.552 -3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.205 0 P-O5'-C5' 116.013 -3.054 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.133 0 O4'-C1'-C2' 102.828 -2.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 0 P-O5'-C5' 115.767 -3.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.486 0 P-O5'-C5' 116.507 -2.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.1 0 P-O5'-C5' 117.979 -1.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 P-O5'-C5' 116.593 -2.692 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O5'-C5' 115.64 -3.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.179 0 O4'-C1'-N19 110.845 3.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 0 O5'-C5'-C4' 112.257 1.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.484 1.243 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 p -105.18 136.46 44.64 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 172.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.23 172.27 9.68 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -153.04 125.11 3.83 Favored Pre-proline 0 N--CA 1.436 -1.148 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.14 170.87 17.1 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.836 2.357 . . . . 0.0 109.784 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -116.62 150.31 38.3 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 104.382 -2.451 . . . . 0.0 104.382 174.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -68.89 149.83 97.77 Favored Pre-proline 0 C--N 1.355 0.835 0 C-N-CA 125.089 1.356 . . . . 0.0 109.705 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -76.89 165.14 28.95 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.991 2.461 . . . . 0.0 108.444 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -138.08 160.75 38.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 104.929 -2.249 . . . . 0.0 104.929 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.0 t -93.54 161.72 14.25 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.009 -1.848 . . . . 0.0 106.009 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.53 -34.28 65.14 Favored 'General case' 0 CA--C 1.503 -0.836 0 C-N-CA 124.326 1.05 . . . . 0.0 110.397 -175.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -69.83 -35.87 75.12 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 124.709 1.204 . . . . 0.0 109.742 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.3 tpp -67.26 -34.62 77.82 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.824 1.25 . . . . 0.0 111.486 -174.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.84 -36.43 75.56 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.935 1.294 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -74.32 -32.63 62.91 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.778 0.831 . . . . 0.0 110.386 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.6 mt -62.6 -45.27 93.65 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.625 0.77 . . . . 0.0 112.152 -176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -74.15 -29.25 61.7 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-N 118.295 0.498 . . . . 0.0 112.234 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -81.01 -38.45 27.46 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.451 0.7 . . . . 0.0 110.413 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 3.12 48.42 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.734 0.814 . . . . 0.0 111.299 -177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -65.51 -37.04 85.62 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 125.27 1.428 . . . . 0.0 112.934 -169.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -67.59 -37.37 82.47 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.703 1.201 . . . . 0.0 111.256 -176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 m -71.3 -38.34 71.77 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 124.4 1.08 . . . . 0.0 110.839 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.1 mt -72.48 -41.84 64.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.5 1.12 . . . . 0.0 109.373 -175.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -74.66 -11.22 60.13 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -77.05 -44.18 31.68 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -100.98 15.73 27.68 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.235 0.614 . . . . 0.0 111.063 -171.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -134.68 147.09 61.69 Favored Pre-proline 0 C--N 1.353 0.74 0 N-CA-C 104.864 -2.273 . . . . 0.0 104.864 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -84.6 82.18 1.85 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.875 2.383 . . . . 0.0 112.119 -168.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.95 55.02 9.94 Favored Glycine 0 C--N 1.357 1.741 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 171.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.3 tt -87.2 144.15 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 C-N-CA 123.79 0.836 . . . . 0.0 109.258 -168.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -101.34 163.9 12.04 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.57 -23.01 32.46 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 125.603 1.561 . . . . 0.0 113.585 -164.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.1 p -68.68 -37.94 79.96 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 124.579 1.152 . . . . 0.0 110.736 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -94.57 -4.66 47.48 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.386 0.674 . . . . 0.0 110.656 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.7 t -77.88 -33.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 167.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.4 -28.04 62.74 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.866 0.866 . . . . 0.0 110.793 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -70.71 -52.7 19.24 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.697 1.199 . . . . 0.0 109.778 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -77.49 -26.39 51.24 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.888 1.275 . . . . 0.0 111.087 -171.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.45 3.45 85.27 Favored Glycine 0 C--N 1.351 1.409 0 O-C-N 121.807 -0.558 . . . . 0.0 112.084 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.55 -34.72 49.0 Favored Glycine 0 C--N 1.356 1.65 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -73.75 -37.51 65.03 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.583 1.153 . . . . 0.0 109.342 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.71 -44.78 66.2 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.245 1.018 . . . . 0.0 111.031 -176.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -56.77 -33.59 66.77 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 125.204 1.402 . . . . 0.0 112.679 -178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -57.83 -47.91 81.29 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.659 1.184 . . . . 0.0 111.551 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -151.57 109.04 3.61 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.34 -60.87 1.45 Allowed 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 176.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -148.67 -98.87 0.08 Allowed 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.185 -2.894 . . . . 0.0 103.185 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -122.25 132.83 54.62 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -28.04 16.52 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.3 p -64.25 -21.25 66.52 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.633 1.973 . . . . 0.0 112.847 -175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.69 -47.97 81.32 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.798 1.639 . . . . 0.0 110.111 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -83.73 -30.66 26.52 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 124.608 1.163 . . . . 0.0 110.374 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -72.39 -28.22 62.86 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.577 1.151 . . . . 0.0 110.931 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.79 72.41 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 123.786 0.834 . . . . 0.0 110.268 177.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.19 -39.34 71.86 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 124.695 1.198 . . . . 0.0 110.456 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.73 68.44 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 124.622 1.169 . . . . 0.0 111.347 -176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.51 -37.34 71.24 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 124.121 0.968 . . . . 0.0 110.412 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.3 tttp -70.41 -38.21 74.57 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 123.842 0.857 . . . . 0.0 109.924 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.26 74.69 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.409 1.083 . . . . 0.0 111.459 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -71.48 -48.2 50.63 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 124.088 0.955 . . . . 0.0 109.376 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.56 -38.58 89.98 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.823 1.249 . . . . 0.0 110.948 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.35 -47.54 76.09 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.17 1.388 . . . . 0.0 109.411 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -60.39 -46.89 88.35 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.265 1.426 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -59.81 -45.39 92.5 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.305 1.842 . . . . 0.0 110.855 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -76.19 -39.88 53.69 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 124.236 1.015 . . . . 0.0 110.867 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.81 64.14 Favored 'General case' 0 CA--C 1.501 -0.91 0 C-N-CA 123.995 0.918 . . . . 0.0 113.036 -169.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 m -71.05 -23.32 23.37 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 CA-C-N 119.107 0.867 . . . . 0.0 111.27 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -69.27 -42.03 76.09 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 123.969 0.908 . . . . 0.0 109.378 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -77.31 -35.82 54.55 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.538 1.135 . . . . 0.0 110.53 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.89 -46.48 71.53 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.174 1.79 . . . . 0.0 110.371 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -89.8 8.33 32.44 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 123.198 0.599 . . . . 0.0 111.071 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -98.44 42.36 1.1 Allowed 'General case' 0 C--N 1.358 0.949 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -127.63 -96.3 0.42 Allowed 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.624 0 N-CA-C 105.773 -2.931 . . . . 0.0 105.773 179.787 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 1 O4'-C1'-N19 111.713 4.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.047 0 O5'-C5'-C4' 112.842 1.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.704 0 P-O5'-C5' 116.738 -2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 P-O5'-C5' 116.867 -2.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.462 0 P-O5'-C5' 116.59 -2.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 0 P-O5'-C5' 116.36 -2.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.096 1 O4'-C1'-N19 112.497 5.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 C4'-C3'-C2' 99.882 -3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 C5'-C4'-C3' 110.246 -2.969 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.713 0 P-O3'-C3' 116.955 -2.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.456 0 P-O5'-C5' 116.161 -2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.233 0 O4'-C1'-N19 110.626 3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.487 0 O4'-C1'-N19 110.365 3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 N19-C1'-C2' 118.042 2.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.153 0 C5'-C4'-C3' 109.794 -3.271 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.792 0 O5'-C5'-C4' 112.961 1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.276 0 P-O5'-C5' 115.594 -3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 0 P-O5'-C5' 115.847 -3.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.078 0 P-O5'-C5' 116.596 -2.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 0 C5'-C4'-C3' 110.158 -3.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.51 0 P-O5'-C5' 116.66 -2.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 109.101 1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.198 0 P-O5'-C5' 116.189 -2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.25 0 P-O5'-C5' 115.262 -3.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.922 1 O4'-C1'-N19 111.09 4.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 C5'-C4'-C3' 112.287 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 121.12 0.486 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -149.91 44.57 0.91 Allowed 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 103.221 -2.881 . . . . 0.0 103.221 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -103.66 -121.21 0.2 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 -171.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -91.21 122.42 66.35 Favored Pre-proline 0 N--CA 1.439 -0.976 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -77.88 167.31 23.94 Favored 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 122.707 2.272 . . . . 0.0 109.531 179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -97.61 148.93 22.8 Favored 'General case' 0 CA--C 1.498 -1.036 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -91.46 156.94 42.94 Favored Pre-proline 0 N--CA 1.44 -0.967 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.35 167.46 21.29 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 122.857 2.371 . . . . 0.0 108.943 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.38 169.49 17.57 Favored 'General case' 0 N--CA 1.434 -1.26 0 N-CA-C 103.004 -2.961 . . . . 0.0 103.004 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -91.58 172.43 8.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.13 -36.21 72.01 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.429 1.092 . . . . 0.0 109.906 -178.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -70.02 -39.58 75.72 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.95 1.3 . . . . 0.0 109.648 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.4 tpp -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 111.82 -171.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.3 mt -67.35 -34.6 77.66 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.585 1.154 . . . . 0.0 111.262 178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -72.67 -35.46 67.71 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.573 0.749 . . . . 0.0 110.215 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.22 -34.91 78.47 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 123.517 0.727 . . . . 0.0 111.18 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -76.77 -31.92 57.37 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 123.75 0.82 . . . . 0.0 110.957 -175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.7 p -79.8 -37.2 35.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.847 0.459 . . . . 0.0 110.428 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.57 14.77 14.03 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.734 0.814 . . . . 0.0 111.131 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -69.05 -40.83 78.31 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.552 1.141 . . . . 0.0 112.369 -168.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.8 -37.44 73.26 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.651 0.781 . . . . 0.0 110.738 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 m -66.85 -41.66 87.01 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.908 1.283 . . . . 0.0 111.506 -176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.53 -38.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 124.531 1.133 . . . . 0.0 109.089 -178.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.06 -19.98 61.07 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -76.09 -45.97 31.32 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 118.937 0.789 . . . . 0.0 109.694 174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -92.08 23.71 3.64 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 122.922 0.489 . . . . 0.0 111.7 -171.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -143.36 153.92 59.86 Favored Pre-proline 0 N--CA 1.441 -0.91 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 172.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -86.14 69.31 4.75 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.87 2.38 . . . . 0.0 111.532 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 70.37 1.27 Allowed Glycine 0 C--N 1.355 1.624 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 173.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.8 tt -98.97 144.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 C-N-CA 124.211 1.004 . . . . 0.0 109.063 -166.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -104.64 170.69 7.74 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 106.325 -1.731 . . . . 0.0 106.325 -173.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.28 -35.44 74.09 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 C-N-CA 125.016 1.327 . . . . 0.0 114.354 -164.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.4 p -74.39 -27.34 60.6 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 109.954 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.2 -23.44 26.47 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.079 1.352 . . . . 0.0 109.805 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.7 t -71.52 -26.83 26.99 Favored 'Isoleucine or valine' 0 C--N 1.359 0.995 0 C-N-CA 125.22 1.408 . . . . 0.0 108.904 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.27 -20.08 63.07 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.49 -0.756 . . . . 0.0 111.988 177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -77.86 -57.21 3.92 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.717 1.207 . . . . 0.0 109.35 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -73.84 -35.61 64.83 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 124.715 1.206 . . . . 0.0 110.83 -175.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.75 -11.21 84.22 Favored Glycine 0 C--N 1.35 1.322 0 C-N-CA 123.903 0.763 . . . . 0.0 111.456 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.03 -26.22 62.62 Favored Glycine 0 C--N 1.354 1.567 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.99 -45.81 47.65 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.89 1.276 . . . . 0.0 109.562 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.7 mt -78.28 -21.93 49.02 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.144 1.378 . . . . 0.0 111.007 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.1 t-105 -75.48 -38.24 59.69 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.982 1.313 . . . . 0.0 109.206 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -68.46 -46.72 69.03 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.689 0.796 . . . . 0.0 110.377 -171.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.87 92.95 4.26 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.6 ttm -132.0 -150.63 0.43 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.18 -2.156 . . . . 0.0 105.18 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -87.74 -106.54 0.07 Allowed 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 171.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -115.95 158.24 23.34 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -88.92 -27.96 20.61 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 172.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.96 -25.48 65.24 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 127.74 2.416 . . . . 0.0 113.879 -169.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.35 -43.49 96.43 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 126.225 1.81 . . . . 0.0 110.502 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -90.81 -31.51 16.46 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 124.942 1.297 . . . . 0.0 109.934 -172.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.59 -39.63 88.49 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.344 1.058 . . . . 0.0 111.276 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 -39.99 80.1 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 123.986 0.914 . . . . 0.0 110.816 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -73.21 -35.53 66.34 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.229 1.012 . . . . 0.0 110.3 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.58 -32.95 72.02 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.86 1.264 . . . . 0.0 111.431 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.22 -38.87 68.87 Favored 'General case' 0 CA--C 1.505 -0.787 0 C-N-CA 124.452 1.101 . . . . 0.0 110.721 -178.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.72 -27.44 58.17 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 123.618 0.767 . . . . 0.0 110.599 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.42 62.83 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 123.991 0.916 . . . . 0.0 110.401 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -76.09 -35.51 59.33 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.575 1.15 . . . . 0.0 109.882 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -70.12 -40.71 74.7 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 125.2 1.4 . . . . 0.0 109.587 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -62.41 -50.16 72.64 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.516 1.526 . . . . 0.0 109.782 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -57.59 -53.07 62.37 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.99 1.716 . . . . 0.0 111.292 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -60.43 -45.22 94.42 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 124.58 1.152 . . . . 0.0 111.195 -171.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -75.17 -36.46 61.49 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.285 0.634 . . . . 0.0 111.146 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.46 -30.15 62.99 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.108 0.963 . . . . 0.0 113.418 -172.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.9 m -74.38 -13.43 15.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 CA-C-N 118.75 0.705 . . . . 0.0 112.84 -173.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -74.04 -36.47 64.4 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 174.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.46 -30.44 33.42 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.477 1.111 . . . . 0.0 110.088 -177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -71.74 -52.27 18.57 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.495 1.518 . . . . 0.0 108.659 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -93.09 28.58 2.1 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.165 0.986 . . . . 0.0 110.037 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.74 -28.7 24.43 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 169.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -87.08 153.63 21.38 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -175.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 105.849 -2.9 . . . . 0.0 105.849 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.296 1 O4'-C1'-N19 111.341 4.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 P-O5'-C5' 117.27 -2.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 0 P-O5'-C5' 116.564 -2.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.115 0 P-O5'-C5' 117.197 -2.314 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.56 0 P-O5'-C5' 116.799 -2.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 O4'-C1'-N19 110.455 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.577 -2.532 1 O4'-C1'-N19 112.176 5.47 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 0 O4'-C1'-N19 110.184 2.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.062 0 O4'-C1'-N19 109.255 1.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 0 P-O3'-C3' 117.731 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.547 0 O5'-C5'-C4' 112.347 1.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.193 0 O4'-C1'-N19 110.889 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.617 0 O4'-C1'-N19 110.43 3.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.357 0 N19-C1'-C2' 117.978 2.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.191 0 C5'-C4'-C3' 109.935 -3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 0 O5'-C5'-C4' 113.083 2.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 P-O5'-C5' 115.461 -3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.274 0 P-O5'-C5' 115.888 -3.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 O4'-C1'-C2' 103.053 -2.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 P-O5'-C5' 116.609 -2.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.389 0 P-O5'-C5' 116.729 -2.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 P-O5'-C5' 117.89 -1.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 0 P-O5'-C5' 116.343 -2.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 0 P-O5'-C5' 115.479 -3.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.391 1 O4'-C1'-N19 111.459 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.485 0 O4'-C1'-N19 109.185 1.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttm . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -136.45 151.84 49.91 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -153.43 -178.8 7.23 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 102.339 -3.208 . . . . 0.0 102.339 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -145.74 129.4 8.49 Favored Pre-proline 0 N--CA 1.436 -1.144 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 175.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -77.46 164.44 28.61 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.443 2.095 . . . . 0.0 109.701 -175.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -137.35 -176.21 4.32 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 103.558 -2.756 . . . . 0.0 103.558 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -74.62 125.76 89.31 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.223 -170.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -89.42 9.14 3.56 Favored 'Trans proline' 0 CA--C 1.51 -0.686 0 C-N-CA 122.604 2.203 . . . . 0.0 111.188 -170.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.58 107.57 5.93 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.465 1.03 . . . . 0.0 110.54 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p -156.91 100.93 1.92 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 103.412 -2.811 . . . . 0.0 103.412 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.29 -26.75 56.2 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 123.795 0.838 . . . . 0.0 111.409 -169.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -69.55 -38.19 77.37 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.269 1.427 . . . . 0.0 110.026 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.93 -26.03 63.01 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.86 1.264 . . . . 0.0 111.282 -176.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.5 mt -70.85 -39.84 72.7 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 123.76 0.824 . . . . 0.0 110.5 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -72.79 -31.9 65.19 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 124.487 1.115 . . . . 0.0 110.164 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.32 -46.43 86.7 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 124.797 1.239 . . . . 0.0 110.943 -171.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -74.03 -24.61 59.57 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 123.177 0.591 . . . . 0.0 111.97 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -78.83 -45.91 19.83 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.033 0.933 . . . . 0.0 109.36 -175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.41 2.22 37.61 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.222 1.009 . . . . 0.0 111.509 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -63.57 -34.85 78.73 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.595 1.558 . . . . 0.0 112.533 -172.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -75.11 -29.86 60.7 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.636 0.774 . . . . 0.0 112.214 -174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.5 p -77.77 -33.62 52.65 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.34 -29.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 126.332 1.853 . . . . 0.0 110.999 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.85 -31.1 70.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.119 0.967 . . . . 0.0 111.84 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -87.35 -34.9 18.66 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 109.862 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.63 -56.87 5.47 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 124.844 1.258 . . . . 0.0 110.136 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.39 137.76 22.0 Favored Pre-proline 0 N--CA 1.442 -0.826 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -84.19 75.52 3.9 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.046 2.498 . . . . 0.0 111.427 -170.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.13 63.01 2.62 Favored Glycine 0 C--N 1.353 1.506 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 174.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.4 tt -87.8 153.34 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -175.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -80.72 152.65 28.27 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.6 -21.9 21.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 124.233 1.013 . . . . 0.0 113.155 -166.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.1 p -79.97 -28.79 39.5 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 123.919 0.887 . . . . 0.0 109.798 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.6 -8.28 58.95 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 110.839 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.29 -34.07 56.97 Favored 'Isoleucine or valine' 0 C--N 1.359 1.01 0 C-N-CA 124.638 1.175 . . . . 0.0 108.568 173.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.35 79.23 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 123.734 0.814 . . . . 0.0 111.171 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.71 -52.31 57.79 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.946 1.298 . . . . 0.0 111.309 -176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.58 -16.67 47.61 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.617 0.767 . . . . 0.0 111.114 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.86 -14.73 80.47 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 123.813 0.72 . . . . 0.0 112.057 -176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.88 -27.04 63.34 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -74.96 -36.8 62.07 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 124.486 1.114 . . . . 0.0 109.385 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.58 -22.78 46.59 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.621 1.169 . . . . 0.0 110.926 -177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 31.5 t-105 -75.75 -38.73 58.14 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.146 0.979 . . . . 0.0 108.664 174.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -65.45 -55.26 18.95 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.252 1.021 . . . . 0.0 110.134 -174.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.55 86.1 2.35 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.09 -1.819 . . . . 0.0 106.09 173.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.8 ttm -116.02 -142.82 0.38 Allowed 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -104.67 -99.85 0.32 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 173.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -107.94 140.52 40.95 Favored 'General case' 0 CA--C 1.496 -1.122 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -94.81 -20.35 19.54 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 171.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.9 m -60.07 -30.38 69.18 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 127.169 2.188 . . . . 0.0 113.588 -171.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -66.97 -46.75 73.69 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.872 1.269 . . . . 0.0 109.396 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 70.2 m95 -72.41 -34.5 67.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 124.815 1.246 . . . . 0.0 111.396 -176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.38 -36.66 68.76 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.496 1.118 . . . . 0.0 110.824 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.39 -30.03 61.79 Favored 'General case' 0 CA--C 1.504 -0.806 0 C-N-CA 124.04 0.936 . . . . 0.0 110.757 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -77.31 -29.02 53.45 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 124.401 1.081 . . . . 0.0 110.016 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.51 61.02 Favored 'General case' 0 C--N 1.354 0.761 0 C-N-CA 124.237 1.015 . . . . 0.0 110.055 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.01 -31.71 68.3 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.187 0.995 . . . . 0.0 110.928 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -66.89 -37.18 83.9 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 124.453 1.101 . . . . 0.0 110.472 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.17 -16.78 63.12 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 124.146 0.978 . . . . 0.0 112.344 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -75.61 -40.37 56.49 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 124.171 0.988 . . . . 0.0 108.769 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -69.05 -41.92 76.98 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.027 0.931 . . . . 0.0 109.496 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.56 -31.33 72.31 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 124.352 1.061 . . . . 0.0 111.504 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -64.96 -39.18 93.1 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.174 1.39 . . . . 0.0 110.112 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.24 -35.5 78.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.571 1.148 . . . . 0.0 110.835 -174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -83.58 -24.94 31.3 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.893 0.477 . . . . 0.0 110.429 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.68 59.51 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 124.403 1.081 . . . . 0.0 111.656 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.8 m -73.79 -14.95 16.64 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 C-N-CA 122.907 0.483 . . . . 0.0 111.608 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -69.12 -47.06 66.1 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.866 0.866 . . . . 0.0 109.174 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -73.58 -29.69 62.55 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.558 1.143 . . . . 0.0 110.952 -177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.74 -50.73 63.72 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.578 1.551 . . . . 0.0 109.813 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -85.0 -0.87 55.84 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 123.178 0.591 . . . . 0.0 111.623 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.84 58.26 2.61 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -143.89 164.94 29.13 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.784 0 N-CA-C 105.626 -2.989 . . . . 0.0 105.626 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.462 1 O4'-C1'-N19 111.175 4.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.14 0 O5'-C5'-C4' 112.704 1.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 P-O5'-C5' 117.119 -2.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 0 C5'-C4'-C3' 111.893 -1.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 P-O5'-C5' 116.222 -2.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.273 0 P-O5'-C5' 116.283 -2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 112.221 5.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.037 0 C4'-C3'-C2' 100.004 -3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 C5'-C4'-C3' 110.152 -3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 P-O3'-C3' 117.736 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.466 0 P-O5'-C5' 116.61 -2.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 0 O4'-C1'-N19 110.362 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.558 0 O4'-C1'-N19 109.897 2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.235 0 N19-C1'-C2' 118.033 2.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.545 2.718 0 C1'-O4'-C4' 106.337 -2.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.191 0 O5'-C5'-C4' 112.869 1.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 0 P-O5'-C5' 115.545 -3.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 0 P-O5'-C5' 115.982 -3.074 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 109.967 2.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 0 C4'-C3'-C2' 100.963 -2.237 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.752 0 P-O5'-C5' 116.741 -2.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.954 0 P-O5'-C5' 118.05 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.612 0 P-O5'-C5' 115.922 -3.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.175 0 P-O5'-C5' 115.414 -3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.162 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.491 0 O4'-C1'-N19 109.062 1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 m -147.35 -89.59 0.09 Allowed 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.199 -2.149 . . . . 0.0 105.199 -177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -88.48 156.38 19.13 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -104.6 139.74 20.4 Favored Pre-proline 0 N--CA 1.44 -0.975 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -73.05 162.02 41.92 Favored 'Trans proline' 0 CA--C 1.508 -0.778 0 C-N-CA 122.952 2.435 . . . . 0.0 110.443 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -113.66 140.43 48.23 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 106.444 -1.688 . . . . 0.0 106.444 -171.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 -82.52 150.32 63.0 Favored Pre-proline 0 N--CA 1.443 -0.824 0 C-N-CA 124.517 1.127 . . . . 0.0 109.589 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -82.56 172.65 11.17 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.468 2.778 . . . . 0.0 109.167 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -136.56 -173.18 3.35 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 104.697 -2.335 . . . . 0.0 104.697 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.4 t -125.02 170.51 11.08 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 104.344 -2.465 . . . . 0.0 104.344 176.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.93 -39.96 69.09 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.828 1.251 . . . . 0.0 110.612 -174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -71.01 -33.17 70.11 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.675 1.19 . . . . 0.0 109.678 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -39.32 78.38 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.681 1.192 . . . . 0.0 111.013 -173.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 mt -68.51 -39.95 81.04 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.19 1.396 . . . . 0.0 110.572 178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -70.13 -34.81 73.53 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.127 0.971 . . . . 0.0 110.966 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.09 -37.85 86.79 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.371 0.668 . . . . 0.0 111.221 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -77.18 -27.53 53.71 Favored 'General case' 0 CA--C 1.507 -0.682 0 C-N-CA 123.479 0.712 . . . . 0.0 110.321 -177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.0 t -77.17 -58.28 3.37 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.102 0.961 . . . . 0.0 109.135 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.37 53.09 1.14 Allowed 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 124.302 1.041 . . . . 0.0 108.841 -175.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -93.18 -44.33 8.4 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -74.2 -28.52 61.31 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.528 1.531 . . . . 0.0 110.619 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.3 p -73.77 -32.49 63.83 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 123.945 0.898 . . . . 0.0 111.127 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.6 mt -69.89 -45.23 77.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 124.309 1.044 . . . . 0.0 109.077 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -74.15 -14.72 61.0 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -74.61 -48.51 26.11 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.555 0.742 . . . . 0.0 109.208 173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -95.51 26.88 3.65 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.359 0.664 . . . . 0.0 111.011 -172.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -133.74 152.19 78.39 Favored Pre-proline 0 N--CA 1.443 -0.788 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 171.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -86.42 61.08 4.6 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.368 2.712 . . . . 0.0 111.046 -172.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.39 65.27 1.64 Allowed Glycine 0 C--N 1.351 1.414 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 tt -87.29 148.55 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -87.64 162.78 16.93 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 m -71.97 -26.17 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 C-N-CA 124.37 1.068 . . . . 0.0 112.578 -167.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.9 m -78.66 -31.34 46.72 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.194 0.997 . . . . 0.0 108.776 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -80.23 -4.67 54.13 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.706 1.202 . . . . 0.0 111.794 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.43 -30.15 38.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 124.345 1.058 . . . . 0.0 108.551 174.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.46 -11.27 59.83 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 123.888 0.875 . . . . 0.0 111.86 178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -92.68 -55.25 3.45 Favored 'General case' 0 CA--C 1.503 -0.854 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -75.43 -27.25 58.89 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.381 0.672 . . . . 0.0 110.946 -170.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.66 -4.17 87.58 Favored Glycine 0 C--N 1.352 1.463 0 C-N-CA 123.632 0.634 . . . . 0.0 112.023 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.46 -25.76 60.5 Favored Glycine 0 C--N 1.355 1.597 0 N-CA-C 110.406 -1.077 . . . . 0.0 110.406 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -72.45 -43.52 63.66 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 125.161 1.385 . . . . 0.0 108.757 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.0 mt -79.64 -19.87 48.12 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.399 1.48 . . . . 0.0 111.358 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.402 ' HE1' H5'' ' C' ' 24' ' ' ' DT' . 58.5 t-105 -79.81 -40.97 27.43 Favored 'General case' 0 CA--C 1.504 -0.817 0 C-N-CA 124.491 1.117 . . . . 0.0 109.024 177.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -70.18 -47.77 60.14 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.307 0.643 . . . . 0.0 109.728 -175.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.73 82.65 2.3 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 172.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -123.22 -149.13 0.42 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 105.219 -2.141 . . . . 0.0 105.219 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -99.41 -111.26 0.18 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.07 153.04 20.28 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -109.51 1.83 20.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.6 p -68.23 -30.47 69.53 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.83 1.652 . . . . 0.0 112.473 -171.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.93 -41.88 81.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 125.089 1.356 . . . . 0.0 110.435 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -85.73 -34.19 21.29 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 124.181 0.992 . . . . 0.0 110.645 -168.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -76.83 -26.75 54.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 122.784 0.434 . . . . 0.0 111.036 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.08 -32.01 50.49 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.926 0.89 . . . . 0.0 109.932 179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -74.04 -40.28 62.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 125.164 1.386 . . . . 0.0 109.152 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -33.53 69.09 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.873 1.269 . . . . 0.0 111.198 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.58 -26.98 61.91 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 124.705 1.202 . . . . 0.0 111.505 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -70.65 -43.91 68.19 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.73 -20.48 62.64 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.131 0.972 . . . . 0.0 111.649 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -76.01 -43.03 46.17 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 125.093 1.357 . . . . 0.0 109.698 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -72.96 -47.29 46.72 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 124.615 1.166 . . . . 0.0 109.085 -177.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.515 1.126 . . . . 0.0 111.739 -177.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.71 -58.54 3.55 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 173.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.63 -38.43 87.64 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 125.511 1.524 . . . . 0.0 111.529 -172.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.4 ttt85 -70.24 -46.88 63.54 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 124.433 1.093 . . . . 0.0 110.581 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.9 -33.29 62.01 Favored 'General case' 0 CA--C 1.504 -0.798 0 C-N-CA 123.282 0.633 . . . . 0.0 112.606 -171.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 m -69.03 -26.5 32.42 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 119.163 0.892 . . . . 0.0 111.141 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -69.38 -42.43 75.18 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.747 0.819 . . . . 0.0 109.603 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -78.06 -33.28 51.0 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 124.884 1.273 . . . . 0.0 110.603 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.01 -49.29 62.46 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 126.103 1.761 . . . . 0.0 109.814 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -85.08 -4.1 59.03 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.68 0.792 . . . . 0.0 111.392 -174.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.88 65.8 5.81 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -156.74 145.19 19.76 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 102.768 -3.049 . . . . 0.0 102.768 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.788 0 N-CA-C 105.933 -2.867 . . . . 0.0 105.933 -177.074 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.167 0 O4'-C1'-N19 110.133 2.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.731 0 P-O5'-C5' 116.671 -2.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 P-O5'-C5' 116.578 -2.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.955 0 P-O5'-C5' 116.67 -2.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.348 0 P-O5'-C5' 116.151 -2.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.095 0 O4'-C1'-N19 110.225 3.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 2 O4'-C1'-N19 112.033 5.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.847 0 C4'-C3'-C2' 99.289 -3.911 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 0 C5'-C4'-C3' 110.309 -2.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.777 0 O5'-C5'-C4' 112.275 1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.721 0 O5'-C5'-C4' 112.288 1.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.208 0 O4'-C1'-N19 110.605 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.595 0 O4'-C1'-N19 110.411 3.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 0 N19-C1'-C2' 117.996 2.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.365 0 C5'-C4'-C3' 109.608 -3.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.479 0 O5'-C5'-C4' 112.551 1.679 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.099 0 P-O5'-C5' 115.522 -3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.093 0 P-O5'-C5' 115.993 -3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.869 0 O4'-C1'-C2' 103.2 -2.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 0 C4'-C3'-C2' 99.999 -3.201 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.083 0 O5'-C5'-C4' 112.785 1.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 P-O5'-C5' 116.721 -2.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.816 0 P-O5'-C5' 116.252 -2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.402 H5'' ' HE1' ' A' ' 43' ' ' TRP . . . . . . . . 0 C5'--C4' 1.53 2.333 0 P-O5'-C5' 114.98 -3.7 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.739 1 O4'-C1'-N19 111.128 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.55 0 C5'-C4'-C3' 112.359 -1.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.484 1.26 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -93.1 113.22 25.41 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 173.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.51 133.68 55.37 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 102.775 -3.046 . . . . 0.0 102.775 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -163.11 137.9 4.98 Favored Pre-proline 0 N--CA 1.44 -0.936 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -78.16 160.3 29.79 Favored 'Trans proline' 0 CA--C 1.507 -0.836 0 CA-C-N 122.826 2.045 . . . . 0.0 110.413 -174.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -147.82 94.33 2.33 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 57.79 82.78 0.23 Allowed Pre-proline 0 C--N 1.356 0.858 0 C-N-CA 126.742 2.017 . . . . 0.0 113.891 174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.21 163.17 33.08 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.795 2.33 . . . . 0.0 109.81 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mp 55.75 91.33 0.03 OUTLIER 'General case' 0 C--N 1.357 0.934 0 C-N-CA 127.361 2.265 . . . . 0.0 112.599 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -88.8 153.97 20.65 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 173.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.9 -34.81 74.0 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 124.439 1.095 . . . . 0.0 110.953 -174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.89 -36.99 75.88 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.024 1.33 . . . . 0.0 109.775 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 tpp -69.56 -33.85 73.35 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.272 1.029 . . . . 0.0 111.231 -174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.2 mt -73.2 -31.96 64.5 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 124.133 0.973 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -73.4 -33.69 65.13 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 123.677 0.791 . . . . 0.0 110.117 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 mt -63.7 -41.27 98.13 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.957 0.903 . . . . 0.0 112.49 -175.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -74.83 -24.16 58.57 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 118.798 0.726 . . . . 0.0 111.691 -177.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -76.91 -46.77 23.13 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.346 1.058 . . . . 0.0 108.742 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.74 58.4 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.319 1.047 . . . . 0.0 112.142 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.0 ttp-105 -50.41 -48.57 56.03 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 127.372 2.269 . . . . 0.0 113.121 -173.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -69.43 -35.58 75.83 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.612 1.165 . . . . 0.0 111.195 -169.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.0 m -72.3 -38.37 68.76 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 124.438 1.095 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 94.5 mt -69.14 -36.7 74.47 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 C-N-CA 125.078 1.351 . . . . 0.0 109.915 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -80.47 -4.75 54.98 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -83.1 -36.46 24.82 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.34 -53.64 6.15 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.27 1.028 . . . . 0.0 109.665 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -87.59 143.0 33.27 Favored Pre-proline 0 N--CA 1.443 -0.775 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 -175.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -81.13 86.69 1.58 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.013 2.475 . . . . 0.0 112.455 -162.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.28 50.61 37.77 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 tt -85.23 142.39 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.976 0 C-N-CA 123.884 0.874 . . . . 0.0 109.055 -169.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -93.66 161.69 14.24 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -68.23 -21.74 26.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -166.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.6 p -73.16 -30.11 63.34 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.856 1.262 . . . . 0.0 110.035 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -94.19 -17.29 22.87 Favored 'General case' 0 N--CA 1.439 -1.024 0 C-N-CA 125.469 1.508 . . . . 0.0 109.354 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.4 t -73.43 -24.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 124.82 1.248 . . . . 0.0 108.246 172.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.34 -29.58 68.35 Favored 'General case' 0 C--N 1.354 0.803 0 O-C-N 121.433 -0.792 . . . . 0.0 111.6 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -71.62 -52.4 18.19 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.016 0.926 . . . . 0.0 109.803 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -75.92 -36.77 59.28 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.048 0.939 . . . . 0.0 110.536 -172.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.81 -7.26 87.55 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 124.393 0.997 . . . . 0.0 111.951 -176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.43 -27.56 59.26 Favored Glycine 0 C--N 1.355 1.601 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -78.83 -37.15 41.31 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 125.279 1.432 . . . . 0.0 108.985 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.86 -29.48 58.55 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.722 1.209 . . . . 0.0 111.188 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -72.96 -36.48 67.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.928 1.291 . . . . 0.0 109.71 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.8 ttt-85 -66.51 -48.2 70.52 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 124.463 1.105 . . . . 0.0 110.528 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.85 81.99 1.55 Allowed 'General case' 0 CA--C 1.502 -0.894 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 172.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 tmm? -113.84 -137.91 0.37 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -114.02 -120.93 0.3 Allowed 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 104.041 -2.577 . . . . 0.0 104.041 173.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -90.61 153.16 20.53 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -106.4 -2.71 21.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.7 t -63.02 -33.18 74.88 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 127.067 2.147 . . . . 0.0 111.48 -172.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.86 -45.67 92.77 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.435 1.494 . . . . 0.0 111.072 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -82.82 -29.83 29.19 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.308 1.043 . . . . 0.0 111.093 -170.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.77 -33.84 62.35 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.777 0.831 . . . . 0.0 110.133 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.81 -26.19 59.55 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.199 1.0 . . . . 0.0 110.765 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -75.7 -35.28 60.35 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.975 0.91 . . . . 0.0 109.049 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.89 4.67 24.65 Favored 'General case' 0 C--N 1.355 0.818 0 C-N-CA 124.79 1.236 . . . . 0.0 111.602 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.8 48.77 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.645 0.778 . . . . 0.0 109.801 175.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -77.77 -18.13 56.77 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.129 0.972 . . . . 0.0 110.502 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.51 -26.2 45.83 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 123.111 0.564 . . . . 0.0 109.9 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -75.6 -39.9 57.24 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.07 1.348 . . . . 0.0 108.153 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.12 -42.11 89.61 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.378 1.471 . . . . 0.0 109.944 178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -74.16 -23.35 59.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.463 1.105 . . . . 0.0 111.155 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.93 -40.81 94.61 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.902 1.281 . . . . 0.0 110.804 -176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.14 -46.87 87.23 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.639 1.576 . . . . 0.0 110.711 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -79.39 -30.52 42.52 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 123.494 0.718 . . . . 0.0 110.697 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.26 -40.1 67.9 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 125.025 1.33 . . . . 0.0 111.826 -175.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.31 -19.36 19.47 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 C-N-CA 122.773 0.429 . . . . 0.0 111.881 -175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -74.13 -34.16 63.8 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.726 0.81 . . . . 0.0 110.099 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -82.27 -31.25 30.18 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.851 0.86 . . . . 0.0 110.218 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -69.64 -52.12 28.75 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 125.599 1.56 . . . . 0.0 110.118 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.55 -22.39 57.09 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.902 0.881 . . . . 0.0 110.817 -174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.99 73.58 9.08 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 174.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -155.87 -177.55 6.65 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 103.05 -2.944 . . . . 0.0 103.05 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.717 0 N-CA-C 108.287 -1.925 . . . . 0.0 108.287 -179.488 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.39 0 O4'-C1'-N19 110.667 3.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.954 0 P-O5'-C5' 117.174 -2.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.745 0 P-O5'-C5' 116.785 -2.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.893 0 P-O5'-C5' 115.803 -3.186 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.394 0 P-O5'-C5' 116.168 -2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.463 0 P-O5'-C5' 116.373 -2.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 1 O4'-C1'-N19 111.466 4.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.117 1 C4'-C3'-C2' 98.341 -4.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 0 O4'-C1'-N19 109.755 2.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.974 0 P-O5'-C5' 117.408 -2.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.599 0 C5'-C4'-C3' 112.557 -1.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.224 0 O4'-C1'-N19 110.542 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.626 0 C5'-C4'-C3' 112.206 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.195 0 N19-C1'-C2' 118.029 2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.276 0 C5'-C4'-C3' 110.137 -3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.468 0 C3'-C2'-C1' 98.767 -2.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.891 0 O4'-C1'-N19 110.735 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 0 P-O5'-C5' 116.399 -2.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 0 O4'-C1'-C2' 103.173 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.738 0 C5'-C4'-C3' 110.201 -2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.58 0 P-O5'-C5' 116.495 -2.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 0 C3'-C2'-C1' 105.195 1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 P-O5'-C5' 116.082 -3.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O5'-C5' 115.716 -3.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.863 0 O5'-C5'-C4' 112.325 1.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -110.78 -132.09 0.32 Allowed 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -85.7 152.16 23.3 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -146.83 129.85 8.02 Favored Pre-proline 0 N--CA 1.435 -1.2 0 N-CA-C 102.871 -3.011 . . . . 0.0 102.871 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -75.03 156.32 42.82 Favored 'Trans proline' 0 CA--C 1.505 -0.939 0 C-N-CA 122.577 2.185 . . . . 0.0 109.218 -174.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -120.4 -157.8 0.73 Allowed 'General case' 0 CA--C 1.497 -1.065 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 -175.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -76.54 119.0 75.51 Favored Pre-proline 0 N--CA 1.444 -0.759 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.076 -168.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -85.01 94.58 0.66 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.901 2.401 . . . . 0.0 111.021 -175.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.4 139.91 17.83 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -171.83 127.34 0.61 Allowed 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 102.63 -3.1 . . . . 0.0 102.63 172.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.16 -37.98 25.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 123.197 0.599 . . . . 0.0 110.302 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.02 -39.36 83.16 Favored 'General case' 0 N--CA 1.442 -0.874 0 C-N-CA 125.441 1.496 . . . . 0.0 110.488 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.2 tpp -73.28 -28.96 62.41 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 123.029 0.532 . . . . 0.0 111.739 -169.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.0 mt -72.99 -32.59 65.26 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.278 1.031 . . . . 0.0 110.53 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -72.02 -31.16 65.93 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 124.492 1.117 . . . . 0.0 110.302 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.7 mt -69.91 -26.92 64.39 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 123.536 0.734 . . . . 0.0 111.406 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -77.18 -29.81 54.59 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.498 0.719 . . . . 0.0 109.95 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.4 t -75.03 -45.23 43.08 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.294 1.037 . . . . 0.0 109.371 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.85 8.39 23.11 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.127 0.971 . . . . 0.0 111.686 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -66.76 -39.62 87.95 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.844 1.258 . . . . 0.0 111.757 -171.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -65.64 -48.06 73.48 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 125.011 1.324 . . . . 0.0 110.16 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.8 m -66.99 -43.23 83.49 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.727 1.211 . . . . 0.0 112.237 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.0 mt -66.3 -32.78 59.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 125.091 1.356 . . . . 0.0 110.967 -174.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -63.98 -42.57 97.2 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 124.133 0.973 . . . . 0.0 112.258 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -84.5 -31.38 24.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 C-N-CA 122.285 0.234 . . . . 0.0 111.14 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.62 -54.62 9.81 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.726 0.811 . . . . 0.0 110.684 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -86.86 137.6 33.44 Favored Pre-proline 0 C--N 1.353 0.726 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -80.78 91.25 1.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 123.171 2.58 . . . . 0.0 112.201 -163.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.27 50.2 13.15 Favored Glycine 0 C--N 1.354 1.558 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 172.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.5 tt -84.65 144.67 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -88.44 157.57 18.63 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -72.9 -19.99 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 C-N-CA 124.668 1.187 . . . . 0.0 112.667 -168.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.2 p -78.54 -30.25 46.87 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.173 0.989 . . . . 0.0 109.769 177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.4 -4.27 59.11 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.572 1.149 . . . . 0.0 111.03 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -71.76 -27.59 28.36 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 C-N-CA 125.088 1.355 . . . . 0.0 108.452 173.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -13.38 60.07 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.734 0.813 . . . . 0.0 111.9 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -86.12 -58.04 2.79 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -71.06 -31.08 67.39 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.758 1.223 . . . . 0.0 111.776 -169.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.85 -7.03 87.84 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.48 -25.27 57.2 Favored Glycine 0 C--N 1.355 1.587 0 N-CA-C 109.966 -1.254 . . . . 0.0 109.966 178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.04 -37.67 66.79 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.37 1.468 . . . . 0.0 108.945 178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.16 -28.83 31.91 Favored 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 125.046 1.338 . . . . 0.0 111.12 -176.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -72.02 -34.07 68.54 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 124.672 1.189 . . . . 0.0 109.997 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -45.44 78.27 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 123.881 0.873 . . . . 0.0 110.022 -177.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.03 73.35 0.93 Allowed 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 tmm? -117.59 -139.97 0.36 Allowed 'General case' 0 C--N 1.354 0.803 0 N-CA-C 104.548 -2.39 . . . . 0.0 104.548 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -117.21 -124.09 0.29 Allowed 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -91.95 160.55 15.21 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.775 0.83 . . . . 0.0 108.91 -175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -3.6 49.02 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.05 0.94 . . . . 0.0 108.481 174.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 t -63.38 -30.79 71.86 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 126.497 1.919 . . . . 0.0 112.16 -170.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.9 -44.06 90.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.284 1.033 . . . . 0.0 110.712 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.69 -31.35 22.52 Favored 'General case' 0 CA--C 1.5 -0.968 0 C-N-CA 123.785 0.834 . . . . 0.0 111.997 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -79.21 -25.02 42.73 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.542 0.61 . . . . 0.0 110.401 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.04 -29.91 55.42 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 123.819 0.848 . . . . 0.0 109.847 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -77.08 -26.3 53.29 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 124.201 1.001 . . . . 0.0 109.761 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.79 -6.94 57.25 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.536 1.134 . . . . 0.0 111.413 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.33 -20.95 54.16 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.874 0.869 . . . . 0.0 110.314 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -70.41 -35.96 73.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.482 1.113 . . . . 0.0 108.791 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.88 63.63 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 124.565 1.146 . . . . 0.0 112.301 -175.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -72.26 -40.28 67.76 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 124.329 1.051 . . . . 0.0 109.863 175.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.69 -28.65 60.91 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 124.872 1.269 . . . . 0.0 109.512 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -72.69 -37.49 67.85 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 109.625 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -64.38 -34.83 79.08 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 126.603 1.961 . . . . 0.0 110.761 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.34 -39.54 83.5 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.599 1.56 . . . . 0.0 111.138 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -83.48 -36.07 24.42 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -32.03 72.23 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 125.589 1.556 . . . . 0.0 112.96 -172.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.8 m -74.04 -22.56 18.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.851 0 O-C-N 121.96 -0.462 . . . . 0.0 111.59 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -74.0 -32.88 63.59 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 121.644 -0.66 . . . . 0.0 110.078 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.86 -39.09 64.21 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 124.288 1.035 . . . . 0.0 109.88 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -65.97 -48.8 70.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 125.966 1.706 . . . . 0.0 110.473 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -88.15 10.43 19.37 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 122.994 0.518 . . . . 0.0 111.221 -173.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.19 35.98 2.39 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 173.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -121.86 135.08 54.88 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.726 0 N-CA-C 105.801 -2.92 . . . . 0.0 105.801 -178.258 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.442 0 O4'-C1'-N19 110.8 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.686 0 P-O5'-C5' 117.154 -2.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.057 0 P-O5'-C5' 116.042 -3.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.264 0 P-O5'-C5' 116.785 -2.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 P-O5'-C5' 116.147 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.266 0 P-O5'-C5' 116.128 -2.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.8 1 O4'-C1'-N19 112.217 5.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.062 0 C4'-C3'-C2' 100.059 -3.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.279 0 O5'-C5'-C4' 114.397 2.998 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 O4'-C1'-C2' 102.807 -2.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 C5'-C4'-C3' 112.04 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.532 0 O4'-C1'-N19 110.193 2.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 N19-C1'-C2' 118.09 2.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.551 0 O4'-C1'-N19 109.966 2.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.086 0 O5'-C5'-C4' 112.884 1.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.168 0 P-O5'-C5' 115.628 -3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.112 0 P-O5'-C5' 115.908 -3.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.009 0 O4'-C1'-C2' 102.488 -3.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.578 0 P-O5'-C5' 116.272 -2.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.339 0 P-O5'-C5' 116.698 -2.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 109.827 2.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 P-O5'-C5' 115.971 -3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.848 0 P-O5'-C5' 115.23 -3.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 1 O4'-C1'-N19 111.386 4.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 0 O4'-C1'-N19 109.139 1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.0 mtm . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -148.93 160.57 43.16 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -129.36 163.84 24.89 Favored 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 104.044 -2.576 . . . . 0.0 104.044 174.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -121.81 133.05 24.14 Favored Pre-proline 0 N--CA 1.44 -0.948 0 N-CA-C 104.742 -2.318 . . . . 0.0 104.742 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -77.02 164.87 29.11 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.864 2.376 . . . . 0.0 109.701 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -101.77 142.75 32.61 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 106.348 -1.723 . . . . 0.0 106.348 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -67.73 155.1 92.23 Favored Pre-proline 0 C--N 1.353 0.748 0 C-N-CA 126.244 1.818 . . . . 0.0 110.861 -175.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.15 156.74 42.34 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 122.831 2.354 . . . . 0.0 108.663 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 mt -139.37 158.74 43.62 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 104.473 -2.417 . . . . 0.0 104.473 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 t -115.54 160.06 20.44 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 105.096 -2.187 . . . . 0.0 105.096 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.06 72.65 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.651 1.18 . . . . 0.0 110.696 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -69.01 -40.51 78.64 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 124.764 1.226 . . . . 0.0 109.682 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.7 mmm -78.03 -21.71 50.31 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 122.909 0.484 . . . . 0.0 112.1 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.8 mt -76.79 -34.07 58.0 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.565 0.746 . . . . 0.0 110.324 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -73.68 -28.17 61.61 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 123.635 0.774 . . . . 0.0 109.628 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -43.18 97.8 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 124.744 1.218 . . . . 0.0 111.35 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -76.09 -29.29 57.88 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 123.32 0.648 . . . . 0.0 112.12 -175.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.8 p -78.77 -36.7 42.59 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 122.844 0.457 . . . . 0.0 109.792 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.03 14.51 17.54 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.805 0.842 . . . . 0.0 110.736 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -77.69 -37.64 49.18 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 121.254 -0.904 . . . . 0.0 109.438 -175.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -70.46 -30.85 67.78 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.723 1.209 . . . . 0.0 112.04 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.1 p -75.16 -47.27 29.26 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 122.877 0.471 . . . . 0.0 110.011 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.73 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 C-N-CA 125.187 1.395 . . . . 0.0 110.931 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -18.9 60.58 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -93.18 -35.25 13.25 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.677 0.671 . . . . 0.0 109.926 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -71.08 -46.88 61.0 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 123.661 0.784 . . . . 0.0 110.447 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -88.67 141.75 30.33 Favored Pre-proline 0 C--N 1.352 0.706 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -83.14 80.73 2.54 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.968 2.445 . . . . 0.0 111.637 -165.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.37 56.97 4.87 Favored Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 175.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.6 tt -80.87 148.26 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -81.58 154.73 26.05 Favored 'General case' 0 CA--C 1.501 -0.924 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -70.09 -28.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 125.125 1.37 . . . . 0.0 111.641 -168.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 p -71.35 -32.68 68.81 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 124.806 1.243 . . . . 0.0 110.447 175.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -86.14 -2.57 58.47 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.056 0.942 . . . . 0.0 111.114 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -76.34 -34.26 25.01 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 170.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.84 -16.42 60.07 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 124.036 0.934 . . . . 0.0 111.21 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 tptp -83.19 -47.98 11.0 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -41.14 63.47 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 125.348 1.459 . . . . 0.0 110.711 -170.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.7 -0.21 79.53 Favored Glycine 0 C--N 1.353 1.504 0 C-N-CA 124.159 0.885 . . . . 0.0 113.44 -172.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.34 -25.78 67.5 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -75.29 -36.03 61.21 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 124.613 1.165 . . . . 0.0 110.147 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.0 mt -77.57 -27.62 51.49 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 124.1 0.96 . . . . 0.0 110.438 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -74.76 -27.58 60.4 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.315 1.046 . . . . 0.0 110.795 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -67.94 -43.73 78.44 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.891 0.876 . . . . 0.0 110.048 175.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.2 23.93 4.73 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.802 0.841 . . . . 0.0 110.843 -177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -52.33 5.76 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.1 tttp 82.89 -71.79 0.04 OUTLIER 'General case' 0 C--N 1.357 0.907 0 C-N-CA 126.519 1.928 . . . . 0.0 111.961 170.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -88.68 77.35 7.92 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -173.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -94.51 6.12 49.76 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 125.413 1.485 . . . . 0.0 110.42 -170.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 t -62.27 -26.2 68.27 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.66 1.984 . . . . 0.0 113.42 -168.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.33 -48.0 81.75 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.078 1.351 . . . . 0.0 110.63 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 60.6 m95 -82.31 -30.1 30.7 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.206 1.002 . . . . 0.0 110.549 -173.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.38 -34.34 70.32 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.418 1.087 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.33 73.01 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.967 0.907 . . . . 0.0 110.552 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.72 -40.45 69.46 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.316 1.046 . . . . 0.0 110.144 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.05 -34.61 75.45 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 125.303 1.441 . . . . 0.0 111.683 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.98 -45.56 73.79 Favored 'General case' 0 CA--C 1.502 -0.872 0 C-N-CA 124.454 1.102 . . . . 0.0 110.542 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.38 -36.87 79.79 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.761 0.824 . . . . 0.0 110.522 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.35 -29.51 70.58 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 124.295 1.038 . . . . 0.0 112.079 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -74.33 -47.28 35.44 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.026 0.931 . . . . 0.0 110.129 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -70.62 -39.91 73.46 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 123.669 0.788 . . . . 0.0 111.366 -173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -69.89 -30.58 68.05 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.693 0.797 . . . . 0.0 110.554 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -69.15 -54.34 15.42 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.586 0.755 . . . . 0.0 109.465 176.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.12 -44.73 83.57 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 126.2 1.8 . . . . 0.0 111.969 -170.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -75.15 -43.33 53.04 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 123.295 0.638 . . . . 0.0 110.653 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.22 -27.83 62.79 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -170.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.79 -23.8 22.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-N 119.349 0.977 . . . . 0.0 111.509 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.35 -31.98 60.71 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 123.331 0.652 . . . . 0.0 109.862 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.41 -35.93 39.88 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.639 1.176 . . . . 0.0 109.859 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -67.44 -53.36 29.64 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 126.616 1.966 . . . . 0.0 109.897 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -86.34 10.07 16.03 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 124.264 1.026 . . . . 0.0 111.528 -174.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.33 -27.35 38.4 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 170.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -87.89 174.43 8.34 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.771 0 N-CA-C 107.688 -2.165 . . . . 0.0 107.688 179.456 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.279 4.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.037 0 P-O5'-C5' 117.736 -1.977 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.754 0 P-O5'-C5' 116.501 -2.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.936 0 P-O5'-C5' 117.585 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.369 0 OP1-P-OP2 116.509 -2.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 P-O5'-C5' 117.608 -2.058 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.135 1 O4'-C1'-N19 114.803 8.754 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 C2'-C3'-O3' 118.571 2.952 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.573 -2.84 1 P-O3'-C3' 130.433 8.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.283 0 P-O5'-C5' 117.583 -2.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.351 0 P-O5'-C5' 115.896 -3.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 0 O4'-C1'-N19 110.176 2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 0 O4'-C1'-N19 109.819 2.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.336 0 N19-C1'-C2' 118.16 2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.771 0 O4'-C1'-N19 109.843 2.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.964 0 O5'-C5'-C4' 112.877 1.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.42 0 P-O5'-C5' 115.791 -3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.441 0 P-O5'-C5' 116.743 -2.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 0 P-O5'-C5' 118.159 -1.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.888 0 O5'-C5'-C4' 114.941 3.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.427 0 P-O5'-C5' 116.257 -2.902 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 0 P-O5'-C5' 116.846 -2.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.168 0 P-O5'-C5' 116.125 -2.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 P-O5'-C5' 114.681 -3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 0 O4'-C1'-N19 110.806 3.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.725 0 O5'-C5'-C4' 112.277 1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -120.51 108.96 14.72 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 55.74 -132.21 1.7 Allowed 'General case' 0 C--N 1.358 0.963 0 C-N-CA 126.637 1.975 . . . . 0.0 110.698 175.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -163.79 122.11 1.25 Allowed Pre-proline 0 N--CA 1.435 -1.211 0 N-CA-C 103.435 -2.802 . . . . 0.0 103.435 169.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -76.59 157.75 36.08 Favored 'Trans proline' 0 CA--C 1.508 -0.785 0 C-N-CA 122.669 2.246 . . . . 0.0 110.138 -170.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -116.72 -168.79 1.51 Allowed 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -79.14 120.74 81.73 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-O 118.203 -0.904 . . . . 0.0 110.871 -169.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -84.63 99.11 0.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.138 2.559 . . . . 0.0 111.547 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.77 132.07 13.68 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 168.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.9 t -165.43 122.81 1.51 Allowed 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 101.51 -3.515 . . . . 0.0 101.51 171.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.59 -31.14 32.67 Favored 'General case' 0 CA--C 1.505 -0.772 0 C-N-CA 123.42 0.688 . . . . 0.0 110.601 -172.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -68.99 -40.88 78.48 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 125.145 1.378 . . . . 0.0 109.615 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 tpp -68.07 -32.14 72.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.201 1.001 . . . . 0.0 112.203 -171.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.04 -31.98 63.13 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 124.219 1.008 . . . . 0.0 110.859 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -72.91 -32.62 65.46 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 123.967 0.907 . . . . 0.0 110.277 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.1 mt -66.27 -40.14 89.9 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 123.658 0.783 . . . . 0.0 112.489 -175.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -76.94 -24.55 52.4 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.387 0.54 . . . . 0.0 111.138 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.8 t -77.64 -52.49 8.91 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 123.875 0.87 . . . . 0.0 108.929 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 28.37 1.91 Allowed 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 124.061 0.944 . . . . 0.0 110.625 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -73.48 -29.25 62.4 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.912 0.885 . . . . 0.0 110.106 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.2 -23.83 62.1 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 125.051 1.34 . . . . 0.0 111.608 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.0 m -79.15 -48.08 14.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 123.592 0.757 . . . . 0.0 109.053 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.37 -36.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 C-N-CA 126.301 1.841 . . . . 0.0 111.141 -171.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -75.51 -13.62 60.37 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.3 mtp85 -91.25 -35.2 14.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.01 -50.88 13.6 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.489 1.116 . . . . 0.0 109.696 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -96.33 147.74 33.41 Favored Pre-proline 0 N--CA 1.443 -0.817 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -83.88 76.59 3.63 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.922 2.415 . . . . 0.0 111.764 -171.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.22 60.52 4.4 Favored Glycine 0 C--N 1.356 1.691 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 19.0 tt -92.91 144.74 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -99.72 167.73 10.37 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.2 m -67.67 -27.13 37.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 124.753 1.221 . . . . 0.0 113.547 -167.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.7 p -75.61 -28.03 58.7 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.468 1.107 . . . . 0.0 109.919 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -88.53 -21.45 24.11 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 125.0 1.32 . . . . 0.0 109.965 -176.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -73.42 -25.8 21.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 124.789 1.235 . . . . 0.0 109.101 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.25 -24.79 65.84 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.844 0.857 . . . . 0.0 111.61 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -87.21 52.33 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 124.339 1.056 . . . . 0.0 109.294 174.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 57.78 46.07 17.68 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.233 2.213 . . . . 0.0 112.417 172.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -93.14 -25.14 20.38 Favored Glycine 0 C--N 1.352 1.46 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.33 -62.55 2.06 Favored Glycine 0 C--N 1.355 1.605 0 N-CA-C 108.673 -1.771 . . . . 0.0 108.673 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.372 11.3 pt-20 66.01 -27.45 0.11 Allowed 'General case' 0 C--N 1.359 1.017 0 C-N-CA 129.632 3.173 . . . . 0.0 116.57 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.0 mt -75.07 -8.38 56.39 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 125.902 1.681 . . . . 0.0 111.024 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -70.79 -34.74 72.09 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.665 1.586 . . . . 0.0 110.374 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 123.607 0.763 . . . . 0.0 110.438 -167.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.58 87.72 2.78 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 104.659 -2.348 . . . . 0.0 104.659 170.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.7 tmm? -106.52 -92.91 0.39 Allowed 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 -176.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? -145.53 -91.51 0.1 Allowed 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 102.875 -3.009 . . . . 0.0 102.875 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -128.36 179.81 5.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 103.879 -2.637 . . . . 0.0 103.879 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.32 -2.02 16.92 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.6 m -60.65 -33.35 72.68 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.627 1.971 . . . . 0.0 113.259 -168.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.83 -45.24 86.98 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 125.366 1.466 . . . . 0.0 111.083 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -82.29 -28.86 31.5 Favored 'General case' 0 CA--C 1.501 -0.934 0 C-N-CA 124.354 1.062 . . . . 0.0 110.643 -170.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -73.51 -28.78 62.09 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 124.275 1.03 . . . . 0.0 110.273 177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.63 -31.07 59.7 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.193 0.997 . . . . 0.0 110.867 178.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -76.96 -25.35 52.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.49 0.716 . . . . 0.0 110.365 177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.34 -12.29 59.94 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.986 0.915 . . . . 0.0 111.151 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.22 57.15 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.939 0.896 . . . . 0.0 109.873 176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -71.95 -29.16 63.99 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 123.91 0.884 . . . . 0.0 110.604 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.96 -16.32 60.64 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 124.238 1.015 . . . . 0.0 111.02 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -84.47 -30.97 24.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.722 1.209 . . . . 0.0 109.229 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -74.15 -36.6 64.13 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.88 0.872 . . . . 0.0 109.088 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -75.88 -21.28 57.33 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 124.264 1.026 . . . . 0.0 110.216 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -68.02 -42.15 81.07 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.309 1.044 . . . . 0.0 109.205 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.8 -35.68 81.37 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 124.83 1.252 . . . . 0.0 110.415 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -71.43 -45.91 61.43 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.088 0.955 . . . . 0.0 110.126 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.74 -38.68 91.8 Favored 'General case' 0 CA--C 1.505 -0.768 0 C-N-CA 125.049 1.34 . . . . 0.0 112.932 -172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.97 -14.88 16.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 122.923 0.489 . . . . 0.0 111.677 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.58 -47.41 40.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.523 0.729 . . . . 0.0 109.612 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.23 -24.0 54.59 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.597 0.759 . . . . 0.0 110.851 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -67.83 -47.46 68.94 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.422 1.489 . . . . 0.0 110.146 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -82.62 -17.84 43.29 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 123.087 0.555 . . . . 0.0 110.821 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.64 -64.63 1.1 Allowed 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.438 0.695 . . . . 0.0 109.205 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -103.1 106.03 16.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.815 0 N-CA-C 106.835 -2.506 . . . . 0.0 106.835 -178.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 4.0 0 P-O5'-C5' 117.585 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 0 P-O5'-C5' 116.747 -2.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 P-O5'-C5' 116.806 -2.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.192 0 P-O5'-C5' 115.871 -3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.291 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 1 O4'-C1'-N19 113.893 7.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.567 0 C5'-C4'-C3' 110.737 -2.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 0 C5'-C4'-C3' 110.549 -2.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.931 0 O5'-C5'-C4' 112.63 1.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.541 0 O5'-C5'-C4' 112.324 1.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.306 3.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.497 0 O4'-C1'-N19 109.3 1.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 0 N19-C1'-C2' 118.145 2.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.796 0 C1'-O4'-C4' 106.459 -2.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.908 0 O4'-C1'-N19 110.015 2.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.562 0 O4'-C1'-N19 110.56 3.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.217 0 P-O5'-C5' 116.195 -2.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 O4'-C1'-C2' 102.946 -2.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.758 0 O4'-C1'-N19 110.182 2.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.47 0 O5'-C5'-C4' 112.97 1.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 0 P-O5'-C5' 117.708 -1.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.989 0 O5'-C5'-C4' 113.42 2.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 0 O4'-C1'-N19 110.038 2.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.145 1 O4'-C1'-N19 111.054 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.524 0 C5'-C4'-C3' 112.415 -1.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 tpp . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -144.89 54.78 1.23 Allowed 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.72 146.88 34.79 Favored 'General case' 0 N--CA 1.436 -1.131 0 N-CA-C 102.273 -3.232 . . . . 0.0 102.273 175.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -152.14 134.73 8.88 Favored Pre-proline 0 N--CA 1.437 -1.105 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.34 174.14 13.2 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.809 2.339 . . . . 0.0 110.662 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -86.3 148.13 25.75 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 106.787 -1.561 . . . . 0.0 106.787 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -78.4 151.87 78.14 Favored Pre-proline 0 C--N 1.354 0.803 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HB3' ' HA ' ' A' ' 60' ' ' LYS . 75.0 Cg_endo -78.58 165.33 25.12 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 122.57 2.18 . . . . 0.0 108.137 -178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mp -142.91 174.81 10.34 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 103.291 -2.855 . . . . 0.0 103.291 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.8 p -103.71 168.29 9.24 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.63 -31.79 62.09 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 124.118 0.967 . . . . 0.0 110.0 -175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -69.14 -41.28 77.51 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.158 1.383 . . . . 0.0 109.717 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.6 tpp -66.26 -32.89 74.58 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.673 1.189 . . . . 0.0 111.921 -173.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.4 mt -70.87 -30.34 66.69 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 124.779 1.232 . . . . 0.0 111.754 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -77.96 -27.34 49.22 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 123.198 0.599 . . . . 0.0 110.412 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -67.4 -34.58 77.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 123.294 0.638 . . . . 0.0 112.095 -176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -82.41 -22.84 35.16 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 118.09 0.404 . . . . 0.0 111.909 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.4 p -83.06 -39.54 21.05 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 118.492 0.587 . . . . 0.0 109.828 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.24 8.31 33.81 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.871 0.868 . . . . 0.0 111.088 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.51 -43.89 96.58 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.23 1.812 . . . . 0.0 112.236 -171.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -70.16 -23.64 63.02 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.831 0.852 . . . . 0.0 112.915 -173.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -77.32 -47.49 19.86 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.19 -37.72 80.62 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 C-N-CA 125.958 1.703 . . . . 0.0 111.552 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.0 pttt -70.82 -22.26 62.36 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -88.81 -43.88 10.91 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.18 -47.01 60.09 Favored 'General case' 0 CA--C 1.504 -0.789 0 C-N-CA 124.314 1.045 . . . . 0.0 110.595 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -95.31 139.73 22.12 Favored Pre-proline 0 N--CA 1.442 -0.838 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -82.65 88.1 1.29 Allowed 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.826 2.351 . . . . 0.0 112.879 -163.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 48.92 25.2 Favored Glycine 0 C--N 1.358 1.779 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 170.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.0 tt -86.59 140.06 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 C-N-CA 125.001 1.32 . . . . 0.0 110.099 -164.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -93.19 162.97 13.8 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.71 -20.94 26.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 C-N-CA 125.259 1.424 . . . . 0.0 114.116 -166.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 33.3 p -78.24 -24.16 47.08 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 124.483 1.113 . . . . 0.0 109.899 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -93.86 -25.16 17.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 125.394 1.478 . . . . 0.0 109.072 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.2 t -70.13 -27.16 31.33 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 C-N-CA 125.253 1.421 . . . . 0.0 108.424 173.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.62 71.03 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 123.535 0.734 . . . . 0.0 111.508 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -81.94 -52.4 7.1 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.02 0.528 . . . . 0.0 110.72 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -74.71 -29.27 61.13 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 121.729 -0.607 . . . . 0.0 112.115 -174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -82.07 -11.63 82.19 Favored Glycine 0 C--N 1.35 1.333 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.22 -25.22 62.0 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -73.3 -40.41 64.55 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 124.377 1.071 . . . . 0.0 109.473 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -76.86 -29.92 56.06 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 124.261 1.025 . . . . 0.0 110.78 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -70.34 -37.49 74.67 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 123.156 0.582 . . . . 0.0 110.112 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -59.71 -54.98 40.01 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.861 1.264 . . . . 0.0 111.173 -172.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.85 110.42 17.18 Favored 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 173.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ptp -134.55 -154.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -88.99 -100.69 0.09 Allowed 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.23 138.54 50.82 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 10.92 26.16 Favored 'General case' 0 CA--C 1.504 -0.795 0 C-N-CA 124.471 1.108 . . . . 0.0 108.571 174.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -59.6 -29.51 68.02 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.509 1.924 . . . . 0.0 113.472 -172.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -64.97 -45.06 87.24 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.198 1.399 . . . . 0.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -83.1 -33.06 26.43 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 124.467 1.107 . . . . 0.0 110.305 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -68.67 -40.24 80.26 Favored 'General case' 0 CA--C 1.501 -0.907 0 C-N-CA 124.423 1.089 . . . . 0.0 110.586 179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.09 -40.98 82.52 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.933 0.893 . . . . 0.0 111.055 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -71.01 -45.05 64.64 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 124.376 1.07 . . . . 0.0 110.41 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.06 89.86 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 125.035 1.334 . . . . 0.0 112.158 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.6 -36.77 68.2 Favored 'General case' 0 CA--C 1.502 -0.894 0 C-N-CA 123.756 0.822 . . . . 0.0 110.752 -175.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -73.6 -35.99 65.46 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.61 -25.7 65.89 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 123.934 0.894 . . . . 0.0 111.334 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 9.7 tmtm? -73.49 -46.13 49.83 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 123.54 0.736 . . . . 0.0 109.382 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -65.35 -41.54 93.76 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 124.027 0.931 . . . . 0.0 110.589 -178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.37 -46.91 87.35 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 126.16 1.784 . . . . 0.0 110.481 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -65.98 -53.64 36.37 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.568 1.147 . . . . 0.0 110.883 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.58 -41.26 94.32 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.858 1.663 . . . . 0.0 111.827 -167.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -78.81 -34.57 45.2 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 123.364 0.665 . . . . 0.0 110.394 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.42 -31.98 62.51 Favored 'General case' 0 CA--C 1.502 -0.889 0 C-N-CA 123.254 0.621 . . . . 0.0 112.651 -174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 29.3 m -74.6 -25.31 19.05 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 118.828 0.74 . . . . 0.0 110.2 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -35.4 71.21 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 124.474 1.11 . . . . 0.0 109.767 175.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -90.38 2.89 55.13 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 123.398 0.679 . . . . 0.0 111.391 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -85.94 -72.92 0.47 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -116.87 13.14 14.94 Favored 'General case' 0 CA--C 1.503 -0.848 0 C-N-CA 123.882 0.873 . . . . 0.0 109.93 -170.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 69.51 56.57 0.35 Allowed 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.372 1.469 . . . . 0.0 109.664 -175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -101.52 -137.68 0.33 Allowed 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 -177.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.854 0 N-CA-C 106.816 -2.514 . . . . 0.0 106.816 179.63 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.975 0 P-O5'-C5' 117.6 -2.063 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.46 0 P-O5'-C5' 116.744 -2.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 P-O5'-C5' 116.768 -2.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 P-O5'-C5' 116.31 -2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 P-O5'-C5' 116.376 -2.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.805 1 O4'-C1'-N19 111.714 4.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 1 C4'-C3'-C2' 98.919 -4.281 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 109.877 2.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.982 0 P-O5'-C5' 117.905 -1.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.717 0 O5'-C5'-C4' 112.337 1.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.204 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.676 0 O4'-C1'-N19 109.894 2.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.197 0 N19-C1'-C2' 118.163 2.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 0 C5'-C4'-C3' 109.74 -3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.75 0 O5'-C5'-C4' 112.867 1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.424 0 P-O5'-C5' 115.416 -3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.343 0 P-O5'-C5' 116.025 -3.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 0 O4'-C1'-C2' 103.314 -2.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.406 H2'' ' C8 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.934 0 P-O5'-C5' 117.489 -2.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.406 ' C8 ' H2'' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.821 0 P-O5'-C5' 116.827 -2.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 0 P-O5'-C5' 117.911 -1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 P-O5'-C5' 116.13 -2.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.22 0 P-O5'-C5' 114.983 -3.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.732 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 0 C5'-C4'-C3' 112.429 -1.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_