data_2ljw_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 2ljw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.6 p . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 107.968 -1.123 . . . . 73.15 107.968 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.11 67.54 Favored Glycine 0 C--N 1.347 1.178 0 N-CA-C 112.012 -0.435 . . . . 62.13 112.012 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.19 -58.51 7.5 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.591 1.156 . . . . 74.31 110.126 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -58.32 -33.84 69.95 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.496 0.719 . . . . 75.01 111.367 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.679 HD21 HG22 ' A' ' 20' ' ' VAL . 19.2 tp -68.51 -52.84 27.83 Favored 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.187 0.929 . . . . 72.42 110.484 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' A' ' 51' ' ' GLN . 11.5 ptm85 -64.21 -38.57 91.54 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.348 0.405 . . . . 74.21 111.123 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -66.93 -30.58 70.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.105 0.562 . . . . 64.05 110.593 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.4 tp -69.81 -34.05 73.17 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.084 0.554 . . . . 74.41 110.171 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.2 mt -78.12 -38.09 44.73 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.538 0.735 . . . . 73.21 110.937 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.43 -44.64 28.41 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.037 0.935 . . . . 75.12 111.223 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 -32.98 74.95 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.886 0.475 . . . . 73.33 110.834 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -81.29 -65.84 0.96 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.973 -0.558 . . . . 70.34 111.474 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.53 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 7.3 m0 -105.84 -11.28 16.29 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.775 0.83 . . . . 73.43 112.241 -168.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.54 16.78 77.14 Favored Glycine 0 N--CA 1.471 1.025 0 CA-C-O 119.882 -0.399 . . . . 63.43 113.534 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 83.2 m-85 -144.49 148.2 34.23 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.24 1.016 . . . . 72.14 109.164 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.6 p -93.79 93.33 7.91 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.447 0.699 . . . . 75.54 109.525 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.5 m-85 -83.11 158.74 22.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.796 0.838 . . . . 72.2 112.68 -174.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -79.56 143.18 35.05 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.072 -0.967 . . . . 70.11 108.588 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.679 HG22 HD21 ' A' ' 6' ' ' LEU . 16.3 m -131.12 127.09 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.732 0.813 . . . . 72.41 108.916 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -135.01 145.11 47.76 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.382 0.673 . . . . 73.1 110.424 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.596 ' HB3' HD12 ' A' ' 29' ' ' ILE . 79.8 m-85 -80.96 147.38 30.27 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.857 0.863 . . . . 75.41 110.645 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -145.51 132.0 19.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.413 0.685 . . . . 75.24 109.677 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.7 128.14 49.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.2 1.0 . . . . 74.23 109.568 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 t -143.68 128.8 18.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.73 0.812 . . . . 74.43 109.341 174.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 69.09 -3.56 1.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.108 1.363 . . . . 73.32 112.936 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.76 9.55 37.37 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 122.294 -0.254 . . . . 73.13 112.702 -171.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -100.67 154.25 18.75 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.442 1.097 . . . . 75.35 108.668 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 22' ' ' PHE . 9.5 tp -113.69 133.28 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.418 -0.586 . . . . 55.41 109.418 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -127.6 141.72 51.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.538 1.135 . . . . 74.14 109.058 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -101.42 100.27 10.72 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.812 -0.81 . . . . 74.21 108.812 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -86.86 107.01 18.14 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 123.48 0.712 . . . . 73.5 110.422 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.536 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 43.0 t -72.76 107.86 3.73 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-N 115.136 -0.938 . . . . 75.41 108.781 171.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -66.64 153.71 42.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.852 0.861 . . . . 75.31 110.706 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.0 p90 -79.78 -4.65 52.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.05 0.94 . . . . 74.31 111.798 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -88.9 133.95 34.12 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.637 0.775 . . . . 71.52 109.095 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -133.42 157.6 45.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.14 0.976 . . . . 74.4 110.022 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.1 -19.19 65.87 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.4 0.68 . . . . 75.02 112.115 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -73.66 -16.6 61.21 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.292 0.637 . . . . 74.0 110.867 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -70.02 137.0 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.604 0.761 . . . . 75.21 110.005 168.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.65 85.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.892 0.877 . . . . 63.13 111.484 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -97.6 40.67 1.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.033 0.933 . . . . 75.52 111.678 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -81.63 129.76 64.24 Favored Pre-proline 0 CA--C 1.565 1.52 0 N-CA-C 109.965 -0.383 . . . . 74.24 109.965 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.83 -6.98 20.36 Favored 'Trans proline' 0 C--N 1.391 2.78 0 C-N-CA 123.445 2.763 . . . . 75.41 114.696 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.6 mtm -121.94 144.05 49.1 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.388 0.675 . . . . 73.41 109.928 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -77.07 175.68 9.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.038 -0.528 . . . . 74.44 109.934 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.9 -47.06 86.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.757 0.823 . . . . 72.44 112.315 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.9 m -71.44 -46.41 60.13 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.022 0.529 . . . . 75.03 110.828 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.41 -39.43 87.34 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.826 0.85 . . . . 71.23 111.252 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.523 1.139 . . . . 74.21 110.478 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.41 ' OE1' ' HD2' ' A' ' 7' ' ' ARG . 54.9 tp60 -72.91 -37.72 67.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.773 0.429 . . . . 72.4 110.929 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.5 -32.39 73.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.717 0.807 . . . . 74.42 109.948 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -65.75 -46.71 77.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.237 1.015 . . . . 75.13 109.746 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 7' ' ' ARG . 95.2 mt -59.83 -42.72 94.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.681 0.613 . . . . 73.22 111.081 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -74.82 -27.22 60.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 124.05 0.844 . . . . 73.44 110.604 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 t -72.38 -41.75 65.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.177 0.591 . . . . 52.41 110.083 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.45 -46.6 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.108 0.963 . . . . 73.05 110.085 173.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -28.85 69.09 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.432 1.093 . . . . 72.22 111.511 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -62.01 -44.17 97.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.891 0.876 . . . . 73.4 109.879 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -70.02 -39.29 75.9 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.461 0.704 . . . . 75.41 111.22 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.68 -36.56 76.72 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.76 0.424 . . . . 74.04 110.416 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -72.9 -45.07 60.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.989 0.916 . . . . 73.05 110.738 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.54 95.7 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.064 0.945 . . . . 74.1 111.774 -175.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -89.21 -22.25 22.86 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.95 0.9 . . . . 73.52 111.475 -174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.87 12.22 69.03 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 116.631 -0.259 . . . . 64.12 112.609 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.21 -1.45 89.52 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 120.137 -0.257 . . . . 72.05 113.043 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.02 88.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.762 0.825 . . . . 70.42 111.824 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.99 -40.14 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.152 0.907 . . . . 71.43 109.283 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.3 mm-40 -63.48 -36.32 83.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.848 0.859 . . . . 74.3 111.3 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.08 -46.16 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.672 0.789 . . . . 71.33 110.513 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.63 -18.59 62.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.829 0.851 . . . . 72.01 112.312 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -90.12 -41.09 11.85 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.315 0.646 . . . . 75.21 109.826 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -68.32 -62.17 1.51 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.877 0.471 . . . . 63.45 110.521 -174.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.5 mt -58.53 -46.21 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.986 0.803 . . . . 74.24 111.625 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -62.06 -40.48 95.91 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 123.435 0.459 . . . . 73.14 111.516 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -83.3 -36.88 24.12 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.235 0.457 . . . . 73.04 112.235 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.6 t -72.95 155.66 39.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.577 0.351 . . . . 73.42 111.04 -172.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -105.86 4.2 29.45 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.505 0.722 . . . . 73.22 110.447 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -62.63 140.36 58.68 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.631 0.772 . . . . 73.43 111.38 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.53 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 42.8 mtt180 -119.46 137.92 25.95 Favored Pre-proline 0 C--O 1.243 0.729 0 C-N-CA 124.333 1.053 . . . . 74.44 108.753 167.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 33.2 Cg_endo -66.49 120.34 7.46 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 121.916 1.744 . . . . 64.42 110.347 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -125.11 156.57 38.1 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.572 1.549 . . . . 74.11 109.14 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 60.5 tp -56.33 99.48 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.844 0.858 . . . . 73.0 110.888 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.72 -26.88 11.06 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.418 -0.81 . . . . 71.53 113.309 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -112.65 103.23 11.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.671 -0.863 . . . . 75.42 108.671 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.38 145.52 24.88 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.198 -0.667 . . . . 63.53 109.198 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.536 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 73.6 t -79.9 87.7 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.775 -1.194 . . . . 74.52 107.775 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -85.35 87.28 7.37 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 115.122 -0.945 . . . . 63.23 108.886 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.8 mt -67.18 114.33 18.0 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.756 -1.111 . . . . 73.2 110.468 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.61 113.22 2.87 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.914 1.743 . . . . 73.42 110.529 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.581 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.0 mt -91.69 90.81 7.71 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.218 -1.03 . . . . 71.54 108.218 176.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.519 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 7.1 t70 -69.66 123.34 21.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.536 -1.211 . . . . 62.12 108.028 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.1 mt . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 108.778 -0.823 . . . . 74.32 108.778 173.52 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--O 1.244 0.776 0 N-CA-C 109.23 -0.656 . . . . 74.1 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.05 61.92 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-O 121.036 0.242 . . . . 73.12 112.792 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 45.0 tt0 -65.82 -56.59 11.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.397 1.079 . . . . 73.41 110.223 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.33 -38.6 74.32 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.294 0.638 . . . . 65.11 112.454 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.753 HD22 HG23 ' A' ' 20' ' ' VAL . 37.2 tp -59.99 -54.24 48.38 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.922 0.764 . . . . 73.34 111.029 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.645 ' HB3' HD13 ' A' ' 54' ' ' LEU . 5.6 ptm180 -67.42 -39.57 85.47 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.41 0.444 . . . . 75.44 111.434 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -67.53 -30.57 70.26 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.146 0.578 . . . . 74.44 110.586 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.5 tp -64.28 -36.93 85.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.821 0.848 . . . . 75.35 110.327 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 22.6 mt -76.6 -35.9 57.83 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.713 0.805 . . . . 72.34 110.169 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.8 -33.0 64.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.264 1.026 . . . . 73.43 111.769 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -77.83 -45.09 25.36 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.111 0.481 . . . . 75.31 109.978 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -71.48 -56.91 5.01 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.266 -0.879 . . . . 74.22 111.35 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -112.86 -11.83 13.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.805 0.668 . . . . 73.41 112.805 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 6.73 85.24 Favored Glycine 0 N--CA 1.477 1.392 0 N-CA-C 114.249 0.46 . . . . 72.44 114.249 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.461 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.6 m-85 -137.82 146.28 43.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.64 -0.874 . . . . 75.53 108.64 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -86.6 94.63 9.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 107.123 -1.436 . . . . 72.15 107.123 173.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.461 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 81.5 m-85 -83.31 156.77 22.89 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.069 0.948 . . . . 75.32 111.401 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.23 145.84 41.63 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.76 -0.83 . . . . 72.53 108.76 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 HD22 ' A' ' 6' ' ' LEU . 4.6 m -121.29 126.36 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.071 -1.085 . . . . 74.2 108.071 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -128.62 134.04 48.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.045 0.538 . . . . 71.25 110.109 -173.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.492 ' HB3' HD12 ' A' ' 29' ' ' ILE . 67.3 m-85 -75.68 135.41 40.41 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.464 0.706 . . . . 64.53 110.239 174.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -138.07 109.42 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.037 0.935 . . . . 75.03 108.597 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -97.03 112.15 24.04 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.387 0.675 . . . . 75.44 109.548 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 t -136.02 139.28 42.99 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.223 0.609 . . . . 72.22 109.359 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 65.63 21.71 11.67 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.289 1.436 . . . . 74.4 112.073 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.17 -10.34 74.45 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.886 -0.597 . . . . 73.41 112.661 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -102.74 156.11 17.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.226 1.01 . . . . 74.15 110.577 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 22' ' ' PHE . 7.3 tp -101.23 134.79 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 123.383 0.673 . . . . 74.41 110.066 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -128.36 138.07 52.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.096 1.358 . . . . 74.42 108.166 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD11 ' HB ' ' A' ' 20' ' ' VAL . 40.4 tp -99.78 101.6 12.79 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.25 -0.648 . . . . 75.44 109.25 174.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -90.85 111.7 23.21 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 110.242 -0.281 . . . . 74.34 110.242 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.31 109.31 2.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-N 115.547 -0.751 . . . . 74.54 109.193 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.01 156.47 35.94 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.986 0.914 . . . . 74.13 110.736 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -80.8 -2.67 48.09 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.448 1.099 . . . . 74.23 111.5 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 94.0 mttt -90.9 117.59 29.62 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.696 0.798 . . . . 75.44 109.737 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 164.7 12.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.252 1.021 . . . . 74.13 110.37 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.86 -12.07 59.89 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.75 0.82 . . . . 73.55 111.725 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.75 -36.12 71.66 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.612 0.765 . . . . 75.21 110.67 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 79.6 mt-30 -63.9 122.93 17.67 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.865 0.866 . . . . 72.14 110.246 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.75 -27.45 63.95 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.632 0.773 . . . . 73.22 110.982 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 m -90.86 12.67 18.69 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.785 0.834 . . . . 73.33 111.58 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -58.78 131.54 86.19 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.754 0.822 . . . . 73.42 109.816 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -60.19 -27.07 84.12 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.232 2.622 . . . . 73.32 113.552 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.6 mtm -108.43 152.06 25.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.858 0.863 . . . . 73.05 109.853 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.452 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 41.1 m-80 -77.05 179.91 5.96 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.749 0.42 . . . . 74.4 109.926 173.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.547 0.739 . . . . 74.13 111.69 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 8.5 m -76.86 -43.74 34.93 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.551 -0.295 . . . . 71.01 110.578 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 21.6 mm-40 -59.07 -38.36 79.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.816 0.847 . . . . 75.11 111.195 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -67.51 -40.65 85.13 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.453 -1.248 . . . . 72.15 110.991 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.417 HE22 ' HD2' ' A' ' 7' ' ' ARG . 58.1 tp60 -66.72 -36.48 82.57 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.574 0.226 . . . . 73.21 110.817 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 48' ' ' THR . 20.8 mm-40 -68.52 -33.51 74.26 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.969 -0.559 . . . . 73.01 110.344 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.12 -41.43 99.34 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.775 0.83 . . . . 75.32 110.33 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 7' ' ' ARG . 96.8 mt -65.64 -46.17 80.23 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.342 0.657 . . . . 74.41 111.225 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.91 -31.4 71.15 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.047 -0.524 . . . . 72.12 110.714 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -64.74 -44.16 91.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.558 0.743 . . . . 73.21 110.837 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -70.11 -48.43 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.643 -0.708 . . . . 74.01 110.76 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.01 74.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.696 0.798 . . . . 64.55 111.827 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.69 -43.32 99.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.132 0.973 . . . . 71.23 110.342 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -37.39 78.1 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.073 0.949 . . . . 75.32 110.588 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.17 -36.02 82.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.464 0.706 . . . . 74.23 110.149 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -65.63 -42.07 91.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 74.53 110.208 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.81 69.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.709 0.804 . . . . 72.11 112.052 -177.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.46 HD13 HG22 ' A' ' 29' ' ' ILE . 96.0 mt -94.37 -22.51 18.27 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.816 0.847 . . . . 74.42 111.524 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 6.24 86.84 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.129 0.268 . . . . 71.42 112.696 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.79 -0.93 89.99 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 119.553 -0.582 . . . . 64.44 113.065 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.95 79.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.731 0.812 . . . . 71.21 111.217 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.62 -38.04 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 124.118 0.886 . . . . 74.1 110.094 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -64.96 -35.45 81.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.422 0.689 . . . . 72.12 111.715 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG11 HD12 ' A' ' 89' ' ' ILE . 94.3 t -72.56 -45.38 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.081 0.553 . . . . 75.14 110.194 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.03 -33.91 75.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.955 0.902 . . . . 74.52 111.663 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.6 m -82.08 -48.55 11.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.512 0.725 . . . . 74.11 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.53 -50.11 75.19 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.486 0.714 . . . . 74.45 111.484 -175.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.405 ' HA ' HG21 ' A' ' 77' ' ' THR . 23.8 mt -60.83 -39.12 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.861 0.726 . . . . 75.03 111.208 -176.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -70.26 -34.97 73.47 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 122.767 0.427 . . . . 73.23 111.453 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.079 0.552 . . . . 72.15 112.001 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.405 HG21 ' HA ' ' A' ' 74' ' ' ILE . 6.6 t -82.38 155.51 24.67 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.037 0.446 . . . . 74.33 111.217 -168.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -102.7 -6.89 22.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.797 0.839 . . . . 75.03 110.0 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -61.06 134.31 56.94 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.496 0.718 . . . . 74.33 111.314 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -123.32 135.16 25.72 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.116 -0.947 . . . . 74.04 109.004 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.05 114.56 3.94 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 121.805 1.67 . . . . 63.43 110.205 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.96 169.42 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.861 1.264 . . . . 75.44 109.809 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.12 97.53 0.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.744 0.653 . . . . 64.22 109.78 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.59 -14.44 35.42 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.655 -0.702 . . . . 52.31 113.229 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -122.78 109.53 14.33 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 109.052 -0.721 . . . . 74.23 109.052 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.63 153.58 20.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.737 0.815 . . . . 74.41 110.68 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.2 t -84.34 94.02 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 108.05 -1.093 . . . . 75.4 108.05 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.5 t -78.61 102.63 8.07 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.699 -0.852 . . . . 70.13 108.699 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.48 HD12 HG11 ' A' ' 70' ' ' VAL . 60.7 mt -86.18 112.84 48.58 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 123.754 0.822 . . . . 75.54 109.04 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 113.97 3.83 Favored 'Trans proline' 0 C--N 1.369 1.611 0 C-N-CA 121.845 1.697 . . . . 74.21 110.638 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.1 mt -78.32 92.77 4.57 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.9 -1.148 . . . . 71.31 107.9 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.6 94.28 0.41 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.33 -1.305 . . . . 75.21 109.614 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 123.082 0.553 . . . . 75.1 110.601 -174.537 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 110.679 -0.119 . . . . 72.21 110.679 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.37 -22.4 69.34 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.274 0.359 . . . . 73.33 112.483 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -61.79 -54.99 34.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.875 0.87 . . . . 71.34 109.765 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.01 -35.75 81.39 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.421 0.689 . . . . 64.33 111.455 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD23 HG22 ' A' ' 20' ' ' VAL . 64.6 tp -63.15 -45.39 92.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.044 0.937 . . . . 73.44 109.88 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.514 ' HB2' HD11 ' A' ' 54' ' ' LEU . 69.3 ttt180 -66.78 -42.9 85.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.539 0.736 . . . . 73.25 110.669 177.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.01 -26.8 68.43 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.532 0.733 . . . . 74.51 111.272 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 HD22 ' HG2' ' A' ' 71' ' ' LYS . 50.4 tp -68.02 -37.55 81.53 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.745 0.818 . . . . 64.31 110.172 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.0 mt -74.92 -34.9 62.2 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.685 0.794 . . . . 73.42 109.935 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD22 ' OG ' ' A' ' 17' ' ' SER . 97.0 mt -73.72 -30.72 63.0 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.216 1.007 . . . . 71.14 110.868 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.26 -47.72 22.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.378 0.671 . . . . 75.21 109.881 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -75.86 -62.26 1.65 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.317 -0.856 . . . . 74.21 112.068 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -106.15 -13.31 15.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.694 0.398 . . . . 75.24 111.757 -172.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 11' ' ' LEU . . . 82.42 13.8 77.75 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 115.024 0.77 . . . . 64.01 115.024 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.433 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 91.4 m-85 -138.0 150.65 47.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.149 0.58 . . . . 72.44 110.536 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.419 ' OG ' HD22 ' A' ' 11' ' ' LEU . 18.0 m -85.82 71.59 10.64 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.516 -0.765 . . . . 71.31 109.74 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 94.3 m-85 -70.25 146.43 50.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.048 0.539 . . . . 63.31 111.264 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -75.91 137.16 40.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.753 -0.832 . . . . 61.35 108.753 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.512 HG22 HD23 ' A' ' 6' ' ' LEU . 6.1 m -113.92 124.18 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 108.952 -0.759 . . . . 72.52 108.952 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.39 129.4 55.83 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.555 0.742 . . . . 63.53 110.76 -170.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 29' ' ' ILE . 29.6 m-85 -74.62 129.03 36.99 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 122.549 0.34 . . . . 71.41 110.246 167.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -134.52 118.22 17.07 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.291 -1.003 . . . . 72.4 108.291 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -99.05 113.22 25.31 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.279 0.631 . . . . 73.52 110.727 -173.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -139.12 139.9 37.78 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.278 -0.638 . . . . 73.44 109.278 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 70.35 17.65 6.93 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.441 1.496 . . . . 75.13 112.106 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.19 -3.13 85.61 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.534 -0.303 . . . . 43.51 112.495 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -101.46 165.78 11.07 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 124.365 1.066 . . . . 71.0 109.717 -174.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 22' ' ' PHE . 8.8 tp -120.05 130.43 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.31 0.576 . . . . 74.41 110.321 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.02 125.23 36.88 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.681 1.193 . . . . 74.44 109.254 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.34 97.35 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 109.57 -0.53 . . . . 74.44 109.57 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -85.43 107.02 17.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.914 0.886 . . . . 74.5 110.194 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 26.5 t -72.67 106.49 2.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 174.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.6 mmt -63.28 147.31 51.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.205 1.002 . . . . 74.33 111.618 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.536 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 30.9 p90 -73.19 -12.78 61.0 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.351 1.061 . . . . 73.35 111.937 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -86.21 123.24 31.26 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.333 -0.617 . . . . 72.52 109.333 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -118.15 161.31 20.08 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.568 1.147 . . . . 74.31 109.949 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 47' ' ' GLU . 33.2 tp -68.42 -21.38 64.67 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.368 0.667 . . . . 75.22 112.097 -169.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -68.32 -10.33 54.05 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 123.527 0.731 . . . . 73.2 110.928 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -90.9 137.08 32.63 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.725 0.81 . . . . 63.54 111.554 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.4 -20.31 59.0 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.804 0.842 . . . . 73.23 110.944 172.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -75.67 -5.29 44.81 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.22 1.008 . . . . 75.12 111.845 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.71 120.15 66.29 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.762 0.825 . . . . 75.13 109.281 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.53 -3.91 14.33 Favored 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.053 2.502 . . . . 74.51 113.495 -171.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.3 mtp -114.47 155.02 27.15 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.462 1.105 . . . . 73.41 109.151 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.56 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 83.8 m-20 -80.32 172.71 13.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.792 -0.64 . . . . 73.35 109.545 172.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HA ' HD11 ' A' ' 38' ' ' LEU . 40.1 mt-10 -67.74 -34.34 76.63 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.497 0.719 . . . . 73.45 111.512 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 32.9 m -70.0 -45.2 67.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.409 0.683 . . . . 72.3 110.051 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.56 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 9.5 mm-40 -58.06 -42.57 85.77 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.551 0.74 . . . . 64.21 110.374 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -66.23 -43.17 87.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.67 -1.15 . . . . 73.41 111.415 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' LEU . 56.2 tp60 -67.02 -35.22 79.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.285 0.634 . . . . 73.11 111.159 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.0 mm-40 -74.23 -36.32 63.9 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.153 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -59.95 -40.9 90.58 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.963 0.905 . . . . 74.45 110.592 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 51' ' ' GLN . 70.3 mt -58.41 -51.45 69.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.016 0.927 . . . . 74.44 111.418 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.04 -22.97 55.13 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.363 -0.835 . . . . 73.35 110.78 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -69.64 -47.03 64.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.687 0.795 . . . . 75.14 109.559 171.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 40.5 t -62.44 -49.22 84.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 115.608 -0.723 . . . . 63.24 110.398 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.49 67.38 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.885 0.874 . . . . 70.15 112.147 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.62 -48.71 71.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.011 0.925 . . . . 74.21 110.078 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -70.48 -32.83 70.5 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.899 -0.591 . . . . 74.44 111.78 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 76.6 mt -59.6 -41.61 90.7 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.984 0.421 . . . . 74.02 109.946 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -70.02 -46.56 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.198 0.599 . . . . 73.4 110.814 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.64 77.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.991 0.916 . . . . 72.44 112.43 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.03 -22.09 19.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.831 0.853 . . . . 74.0 110.905 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.49 4.36 62.37 Favored Glycine 0 N--CA 1.478 1.498 0 O-C-N 123.36 0.413 . . . . 73.14 112.936 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 5.77 81.81 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 118.96 -0.911 . . . . 75.43 114.231 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.79 -46.47 81.93 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 118.199 0.999 . . . . 74.13 111.221 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.26 -36.38 76.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 114.956 -1.02 . . . . 74.24 109.638 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -61.6 -39.54 91.57 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.379 0.672 . . . . 54.05 111.52 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 89' ' ' ILE . 59.0 t -65.06 -52.5 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.629 0.771 . . . . 73.55 110.486 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HG2' HD22 ' A' ' 9' ' ' LEU . 46.7 mtpt -60.54 -39.66 88.68 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.69 -1.141 . . . . 74.12 111.359 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -66.4 -50.93 61.79 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.216 0.606 . . . . 72.45 110.018 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -58.08 -51.4 69.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.892 0.745 . . . . 73.23 111.149 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.7 -41.02 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.904 0.882 . . . . 61.1 111.016 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -72.9 -23.78 60.76 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.341 0.656 . . . . 74.14 111.844 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.46 -52.06 8.09 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.857 0.463 . . . . 73.42 110.499 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 t -72.67 177.92 4.45 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.692 0.797 . . . . 64.12 111.407 -174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -132.04 -2.47 3.61 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.694 0.798 . . . . 71.41 109.592 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -66.65 126.85 30.26 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.954 0.784 . . . . 71.44 110.819 -169.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -94.67 141.21 23.09 Favored Pre-proline 0 C--O 1.243 0.733 0 O-C-N 124.738 1.274 . . . . 72.12 109.575 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.536 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 22.1 Cg_exo -63.85 119.82 7.0 Favored 'Trans proline' 0 C--N 1.364 1.365 0 C-N-CA 122.195 1.93 . . . . 75.4 110.119 171.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 41.1 ttm180 -126.14 156.64 39.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.216 1.407 . . . . 74.31 108.353 -171.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.99 106.52 0.51 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.567 0.347 . . . . 72.32 110.546 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -24.1 28.18 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.685 -0.689 . . . . 74.24 112.51 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 8.5 tmtm? -110.4 104.25 12.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.377 1.071 . . . . 73.1 109.517 -177.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.9 144.04 26.79 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.225 -0.658 . . . . 74.42 109.225 170.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.9 t -84.21 88.44 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 107.907 -1.145 . . . . 73.21 107.907 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -80.2 100.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.25 -0.887 . . . . 65.53 109.561 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -81.65 111.78 28.75 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.53 1.132 . . . . 74.44 109.398 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.83 114.12 3.95 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 121.75 1.633 . . . . 72.35 111.012 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.442 ' HB2' HG22 ' A' ' 29' ' ' ILE . 54.5 mt -81.77 92.73 6.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.888 -1.153 . . . . 64.24 107.888 174.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.35 98.84 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.401 -0.818 . . . . 64.3 109.066 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.9 mt . . . . . 0 C--O 1.239 0.512 0 CA-C-N 115.46 -0.791 . . . . 73.2 109.359 -178.441 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.449 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 p . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 107.894 -1.15 . . . . 75.42 107.894 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.57 68.53 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.927 -0.469 . . . . 72.44 111.927 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.01 -47.1 60.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.443 1.097 . . . . 74.54 110.288 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 24.9 mm-40 -62.66 -36.17 81.98 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.793 0.437 . . . . 73.31 111.221 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.554 HD23 HG21 ' A' ' 20' ' ' VAL . 40.6 tp -61.37 -50.55 72.42 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.162 -0.926 . . . . 72.51 110.405 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.527 ' HB3' HD11 ' A' ' 54' ' ' LEU . 8.0 ptm180 -70.11 -35.21 73.97 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.373 0.421 . . . . 72.31 111.61 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -67.28 -34.06 76.62 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.011 0.524 . . . . 70.45 110.876 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.25 -40.33 89.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.663 0.785 . . . . 74.23 110.418 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 19.2 mt -75.63 -32.41 60.25 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.847 0.859 . . . . 74.42 110.219 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.41 -27.24 46.63 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.159 0.984 . . . . 65.41 112.112 -177.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -87.12 -43.88 11.94 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.032 0.533 . . . . 70.53 109.907 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -80.21 -44.92 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.648 -0.251 . . . . 75.23 111.225 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -114.61 -10.58 12.48 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.67 0.618 . . . . 75.35 112.67 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.75 5.1 89.54 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 114.572 0.589 . . . . 64.32 114.572 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -141.19 147.54 38.52 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.158 0.983 . . . . 74.42 109.395 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -92.62 86.16 5.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.415 -0.958 . . . . 62.22 108.415 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -81.53 156.96 24.99 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.819 0.848 . . . . 74.13 112.307 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.51 164.6 24.58 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 108.568 -0.901 . . . . 73.01 108.568 171.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.554 HG21 HD23 ' A' ' 6' ' ' LEU . 5.9 m -139.84 130.66 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 123.677 0.791 . . . . 62.24 110.174 -175.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -110.84 129.08 55.96 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.065 0.946 . . . . 75.25 110.719 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -79.7 102.71 9.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.953 -0.758 . . . . 74.4 108.953 167.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -111.55 112.69 24.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.254 -0.647 . . . . 75.12 109.254 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -106.4 128.72 54.25 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.379 0.672 . . . . 75.31 109.765 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 t -136.5 132.08 34.82 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 124.339 1.055 . . . . 75.41 108.831 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 64.84 18.04 11.28 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.807 1.243 . . . . 72.01 112.339 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.39 -4.58 77.03 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.26 -0.427 . . . . 61.12 113.138 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -101.32 141.16 34.61 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 75.2 109.302 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 91' ' ' LEU . 10.5 tp -103.26 136.71 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-O 121.483 0.659 . . . . 72.14 110.549 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -131.96 125.21 31.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.605 1.162 . . . . 75.11 108.218 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.8 tp -88.91 96.12 10.58 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.302 -0.999 . . . . 74.12 108.302 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.64 102.05 13.82 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.492 0.717 . . . . 73.55 110.027 -177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.418 HG22 HG13 ' A' ' 20' ' ' VAL . 41.8 t -64.49 117.8 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.117 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.445 ' HE3' ' HA ' ' A' ' 34' ' ' MET . 20.2 mmt -70.17 150.45 46.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.522 1.129 . . . . 74.33 111.039 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 32.5 p90 -77.16 -17.58 58.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.675 0.79 . . . . 74.15 111.737 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.29 119.08 22.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.994 0.517 . . . . 75.51 109.921 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -113.02 157.73 21.17 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.221 1.009 . . . . 74.34 110.163 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 47' ' ' GLU . 58.2 tp -59.68 -31.5 69.62 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.924 0.89 . . . . 73.21 112.33 -173.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.41 -17.54 64.76 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.662 0.785 . . . . 64.31 111.3 -173.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.01 132.13 50.96 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.067 0.547 . . . . 75.3 109.814 172.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.57 -20.03 60.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.401 0.68 . . . . 55.34 110.608 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -101.06 18.49 19.62 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.776 0.83 . . . . 75.03 110.91 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.82 121.19 83.83 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.547 -0.908 . . . . 65.43 108.547 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.88 -19.38 58.55 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.835 2.356 . . . . 61.3 114.107 -168.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.0 mtm -106.56 151.5 24.93 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.247 0.619 . . . . 73.5 110.424 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -74.06 167.34 21.72 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.689 0.796 . . . . 75.04 110.703 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' HA ' HD13 ' A' ' 38' ' ' LEU . 42.7 mt-10 -61.6 -42.36 98.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.953 0.901 . . . . 72.14 111.384 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 51.8 m -65.27 -54.69 25.45 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 123.886 0.742 . . . . 74.32 110.38 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.167 0.987 . . . . 75.12 111.663 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.98 -44.55 97.2 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.111 -0.95 . . . . 74.13 110.725 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -68.58 -29.59 68.16 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.741 0.416 . . . . 62.51 110.882 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 mm-40 -74.66 -29.2 61.15 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.183 0.593 . . . . 74.13 110.442 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -64.23 -44.85 90.59 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.898 -0.779 . . . . 73.45 108.898 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 7' ' ' ARG . 83.5 mt -64.38 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.468 -0.787 . . . . 65.51 111.034 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.16 -45.37 88.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.996 0.919 . . . . 73.21 110.238 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -60.74 -49.85 75.85 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.466 0.706 . . . . 75.5 110.185 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.48 HG23 HG22 ' A' ' 20' ' ' VAL . 63.5 t -58.96 -42.9 87.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 123.95 0.9 . . . . 74.41 110.618 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.55 77.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.016 0.926 . . . . 74.03 111.734 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -74.52 -28.67 61.07 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.094 0.871 . . . . 75.14 110.458 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.78 -36.05 62.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.948 0.499 . . . . 71.42 110.532 171.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 76.1 mt -67.97 -28.58 67.57 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.454 0.645 . . . . 73.51 109.745 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -71.45 -51.11 25.57 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.11 1.364 . . . . 74.02 110.682 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.97 84.82 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.67 0.788 . . . . 75.44 111.899 -171.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.52 -25.2 26.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.876 -1.056 . . . . 72.31 111.139 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.77 31.98 28.21 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 111.645 -0.582 . . . . 73.25 111.645 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.412 ' O ' HG21 ' A' ' 70' ' ' VAL . . . -99.91 10.46 60.44 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 119.523 -0.598 . . . . 71.25 113.549 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.04 -60.58 3.06 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.543 0.737 . . . . 62.34 112.262 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.71 -30.64 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.112 0.965 . . . . 75.0 110.211 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.68 -44.69 90.32 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.712 0.805 . . . . 64.41 111.23 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 89' ' ' ILE . 72.6 t -63.45 -50.06 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.965 0.906 . . . . 74.35 110.506 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -61.13 -46.28 91.2 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.191 0.932 . . . . 74.12 111.694 -174.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.538 HG23 ' NE2' ' A' ' 76' ' ' GLN . 38.9 m -66.44 -42.46 87.64 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.266 0.979 . . . . 75.31 110.177 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.67 -50.12 68.27 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.343 0.402 . . . . 73.33 110.92 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.457 ' HA ' HG23 ' A' ' 77' ' ' THR . 40.7 mt -62.84 -38.23 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.648 0.779 . . . . 72.51 111.186 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.9 m -66.12 -33.25 75.35 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.297 0.639 . . . . 74.45 111.313 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' NE2' HG23 ' A' ' 72' ' ' THR . 48.1 mt-30 -83.49 -38.11 22.21 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.041 0.536 . . . . 74.22 112.318 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.457 HG23 ' HA ' ' A' ' 74' ' ' ILE . 11.4 t -75.82 134.56 40.34 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.152 0.501 . . . . 74.11 110.066 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -104.02 12.28 34.33 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.508 0.723 . . . . 73.11 110.52 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -83.81 167.59 16.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.228 1.011 . . . . 74.03 109.989 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -131.43 153.89 81.74 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 123.543 0.737 . . . . 74.23 109.983 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.446 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 8.1 Cg_exo -71.27 120.04 6.7 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.506 2.137 . . . . 72.43 109.928 168.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -131.73 163.12 28.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.125 0.97 . . . . 74.32 109.281 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.36 101.85 0.08 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.987 0.915 . . . . 75.31 112.007 -174.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.58 -28.31 15.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 115.671 -0.695 . . . . 62.41 111.972 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -103.03 103.83 13.95 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.897 0.879 . . . . 74.55 110.57 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.61 18.82 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.005 0.522 . . . . 63.24 109.843 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.1 95.46 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 108.719 -0.845 . . . . 74.1 108.719 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.8 t -77.34 109.77 11.52 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.134 -0.691 . . . . 73.5 109.134 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 70' ' ' VAL . 66.3 mt -92.57 111.95 53.27 Favored Pre-proline 0 N--CA 1.468 0.467 0 C-N-CA 123.694 0.798 . . . . 61.53 109.708 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.89 115.36 3.39 Favored 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.082 1.855 . . . . 75.1 110.132 172.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' A' ' 29' ' ' ILE . 74.3 mt -98.69 109.24 22.03 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.638 -1.245 . . . . 72.15 107.638 172.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.1 94.05 1.48 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-O 121.334 0.588 . . . . 65.21 109.822 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 114.957 -1.02 . . . . 75.41 108.418 166.288 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 108.26 -1.015 . . . . 72.41 108.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.77 -23.99 63.89 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 111.85 -0.5 . . . . 74.01 111.85 172.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -68.64 -59.25 3.26 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.56 1.144 . . . . 74.43 110.303 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.51 -43.96 89.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.567 0.747 . . . . 73.24 111.56 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.548 HD22 HG23 ' A' ' 20' ' ' VAL . 52.1 tp -55.18 -50.51 69.16 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.901 1.28 . . . . 63.45 111.214 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' LEU . 50.5 ttt180 -65.36 -40.93 94.18 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.88 0.738 . . . . 73.55 111.059 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -69.04 -20.78 64.12 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.591 -0.731 . . . . 74.02 110.884 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 tp -78.07 -34.76 50.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.286 0.634 . . . . 62.01 109.66 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.2 mt -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.642 0.777 . . . . 73.43 109.821 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.445 HD23 ' HG ' ' A' ' 17' ' ' SER . 81.5 mt -80.61 -33.52 35.82 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.528 1.131 . . . . 73.04 111.943 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.41 -44.32 71.62 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.216 0.606 . . . . 72.23 110.102 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -77.77 -65.04 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.499 -0.773 . . . . 72.44 110.792 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.472 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.5 m-90 -98.63 -35.35 10.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.987 0.515 . . . . 75.44 112.03 -169.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.81 9.14 54.95 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 113.753 0.261 . . . . 64.25 113.753 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -131.81 142.47 49.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.328 0.651 . . . . 70.3 109.32 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.445 ' HG ' HD23 ' A' ' 11' ' ' LEU . 37.5 m -84.34 91.43 7.78 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 109.236 -0.653 . . . . 61.2 109.236 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -87.45 150.03 24.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.211 0.604 . . . . 75.55 111.45 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.07 135.84 49.68 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.104 -0.702 . . . . 73.55 109.104 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.548 HG23 HD22 ' A' ' 6' ' ' LEU . 21.9 m -123.28 125.88 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 108.539 -0.911 . . . . 65.55 108.539 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -129.5 141.49 50.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.536 0.734 . . . . 73.3 110.374 -177.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.602 ' HB3' HD12 ' A' ' 29' ' ' ILE . 62.7 m-85 -75.24 152.82 38.27 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.395 -0.82 . . . . 74.23 111.465 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -148.33 118.79 7.39 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.5 -0.773 . . . . 74.02 109.13 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -98.63 104.3 16.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.041 0.536 . . . . 75.4 110.407 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -137.21 140.02 41.44 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.772 0.829 . . . . 71.04 109.398 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 64.93 24.81 12.72 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.52 1.128 . . . . 73.21 110.836 -173.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.25 7.75 57.74 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 116.168 -0.469 . . . . 75.24 113.59 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -99.95 174.95 5.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.194 0.998 . . . . 74.11 108.796 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 22' ' ' PHE . 10.7 tp -121.04 134.4 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 108.565 -0.902 . . . . 71.42 108.565 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -126.75 147.36 49.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.47 1.108 . . . . 75.45 108.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.7 tp -109.7 98.25 7.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.742 -0.836 . . . . 74.12 108.742 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -86.42 107.39 18.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 122.864 0.466 . . . . 75.33 110.024 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 22.5 t -72.63 103.29 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.156 -0.929 . . . . 64.03 108.511 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -63.26 161.21 14.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.355 1.062 . . . . 75.22 112.02 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -77.7 7.31 5.89 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.782 1.233 . . . . 75.01 112.181 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.46 101.88 13.26 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 124.166 0.986 . . . . 73.02 109.815 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -90.6 154.01 19.91 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.017 -0.734 . . . . 74.5 109.017 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 47' ' ' GLU . 49.4 tp -63.09 -17.92 62.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.507 0.723 . . . . 75.23 112.647 -174.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.66 -17.65 64.67 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.826 0.451 . . . . 72.11 111.922 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.3 136.21 49.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.04 0.536 . . . . 74.3 111.136 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.49 -16.47 54.23 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.761 0.824 . . . . 75.53 111.13 173.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 m -89.48 3.0 53.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.005 0.922 . . . . 71.13 111.626 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.35 128.24 90.97 Favored Pre-proline 0 CA--C 1.562 1.411 0 C-N-CA 123.705 0.802 . . . . 73.32 110.832 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 34.7 Cg_exo -62.26 -32.13 82.18 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.107 2.538 . . . . 73.35 114.009 -171.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 44' ' ' PRO . 3.5 mpp? -99.97 161.31 13.69 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.446 0.698 . . . . 74.14 109.868 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -80.28 -174.16 4.41 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.157 0.583 . . . . 73.33 109.851 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HA ' HD13 ' A' ' 38' ' ' LEU . 42.3 mt-10 -62.89 -57.86 9.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.77 0.428 . . . . 72.23 110.766 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 67.7 m -65.19 -47.03 78.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.767 0.427 . . . . 71.51 110.199 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -53.7 -35.68 61.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.442 0.697 . . . . 72.42 112.586 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -59.9 -47.29 86.38 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.887 0.475 . . . . 73.34 110.804 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -69.56 -30.93 68.83 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.942 0.497 . . . . 63.11 111.102 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.3 mm-40 -70.29 -33.6 71.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.938 0.495 . . . . 74.53 110.151 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.28 -43.05 87.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.028 0.931 . . . . 73.22 109.628 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 7' ' ' ARG . 96.8 mt -63.73 -40.08 95.86 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.496 0.719 . . . . 74.11 111.082 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.86 -41.39 97.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.449 1.1 . . . . 72.22 110.541 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.8 t -69.1 -39.97 78.66 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.217 -0.901 . . . . 65.32 111.292 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 40.2 t -67.2 -45.83 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.681 0.792 . . . . 65.51 110.92 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.21 68.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.924 0.89 . . . . 74.33 111.966 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.47 -42.21 98.58 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 62.21 110.28 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -71.33 -36.98 71.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.83 0.452 . . . . 74.31 111.01 174.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.42 -36.69 81.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.761 0.315 . . . . 73.22 110.452 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -71.25 -53.38 14.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.74 0.816 . . . . 74.12 110.723 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.925 0.89 . . . . 74.34 112.437 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.2 mt -81.74 -26.98 34.09 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.173 0.989 . . . . 73.43 111.721 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.59 12.96 71.25 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.959 -0.456 . . . . 61.34 111.959 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.01 -3.9 88.44 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 119.86 -0.411 . . . . 73.31 113.169 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.86 78.13 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 74.33 111.635 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.01 -35.03 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 114.713 -1.131 . . . . 74.21 110.587 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.8 -39.86 95.57 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.237 0.615 . . . . 72.31 110.813 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 ' HA ' HG23 ' A' ' 89' ' ' ILE . 86.1 t -67.47 -47.48 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.915 0.886 . . . . 73.33 110.718 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -58.95 -49.5 77.62 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.363 1.039 . . . . 75.33 110.995 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.1 m -66.62 -44.52 81.83 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.096 0.872 . . . . 73.35 111.105 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.3 t80 -66.31 -54.36 25.66 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.58 0.55 . . . . 74.34 111.11 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -58.05 -38.96 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 124.053 0.846 . . . . 74.11 111.384 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -65.74 -47.95 73.56 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.406 0.683 . . . . 75.22 111.695 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.05 -38.03 64.11 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.313 0.645 . . . . 72.32 112.552 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -70.02 162.86 27.34 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 73.51 110.469 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -129.59 16.07 5.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.872 0.869 . . . . 73.34 109.808 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -89.09 137.63 32.14 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.539 0.736 . . . . 72.3 110.646 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 64.0 mtt85 -110.17 142.65 26.39 Favored Pre-proline 0 C--O 1.239 0.505 0 CA-C-N 114.421 -1.263 . . . . 72.53 109.528 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.42 118.05 4.9 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 122.493 2.129 . . . . 75.24 110.821 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -128.69 155.99 44.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.414 1.086 . . . . 74.13 109.34 -170.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.87 92.06 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.693 0.797 . . . . 74.52 112.055 -174.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -18.81 19.55 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.856 -0.611 . . . . 61.11 112.915 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.41 103.27 8.82 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.647 0.779 . . . . 72.54 110.246 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.41 164.21 21.15 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.865 0.866 . . . . 60.22 110.768 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.9 t -92.69 89.76 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 N-CA-C 108.269 -1.011 . . . . 62.13 108.269 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -78.56 100.06 6.78 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 115.895 -0.593 . . . . 72.43 109.656 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.445 HG23 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -81.69 115.9 59.79 Favored Pre-proline 0 N--CA 1.47 0.573 0 C-N-CA 123.871 0.868 . . . . 71.41 109.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.79 113.67 3.84 Favored 'Trans proline' 0 C--N 1.369 1.64 0 C-N-CA 121.73 1.62 . . . . 75.44 110.548 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.518 ' HB2' HG23 ' A' ' 29' ' ' ILE . 49.3 mt -86.81 92.47 8.98 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.711 -1.218 . . . . 72.43 107.711 174.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.75 96.11 0.71 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.841 -1.072 . . . . 72.14 109.34 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 N--CA 1.473 0.715 0 CA-C-N 115.613 -0.721 . . . . 74.32 111.175 -178.706 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 p . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 110.753 -0.092 . . . . 73.11 110.753 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.18 -20.51 71.19 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 112.201 -0.36 . . . . 62.21 112.201 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.71 -54.22 14.82 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.123 0.969 . . . . 75.14 110.037 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.64 -40.4 91.84 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.513 0.725 . . . . 74.44 111.075 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 20' ' ' VAL . 37.7 tp -62.83 -41.77 99.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.91 0.884 . . . . 72.24 110.494 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.48 ' HB2' HD11 ' A' ' 54' ' ' LEU . 55.5 ttt180 -65.79 -44.73 84.85 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.136 0.574 . . . . 73.14 110.298 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -68.15 -22.15 64.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.221 1.008 . . . . 75.45 111.696 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 tp -74.75 -43.35 55.39 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.726 0.81 . . . . 72.42 109.787 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 33.0 mt -71.82 -33.97 68.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.158 -0.928 . . . . 75.14 110.394 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.69 -45.86 41.66 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.677 0.791 . . . . 64.12 111.663 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -58.54 -41.84 86.47 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.044 0.449 . . . . 71.52 110.429 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -77.21 -65.95 0.89 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.213 -0.903 . . . . 72.23 111.532 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -105.3 -10.99 16.69 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.129 0.788 . . . . 72.34 113.129 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.01 4.43 89.99 Favored Glycine 0 N--CA 1.474 1.21 0 N-CA-C 113.603 0.201 . . . . 71.42 113.603 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -139.92 138.39 35.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.105 0.962 . . . . 70.25 109.11 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -87.79 104.69 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.428 0.691 . . . . 63.0 109.61 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.8 159.95 14.97 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.836 0.854 . . . . 74.52 111.876 -176.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.71 120.26 15.19 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.741 -0.663 . . . . 74.11 109.455 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.644 HG23 HD21 ' A' ' 6' ' ' LEU . 12.8 m -103.99 126.02 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.092 -1.077 . . . . 74.54 108.092 174.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -137.53 138.23 39.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.966 0.412 . . . . 73.32 110.721 -173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -72.74 136.6 45.54 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.348 -0.842 . . . . 75.13 110.224 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -143.82 116.35 8.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.473 -1.306 . . . . 75.35 107.473 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -107.21 146.69 31.09 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.137 0.575 . . . . 74.45 110.757 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -144.79 122.16 11.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.804 0.842 . . . . 73.21 109.196 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 63.39 23.49 13.75 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.904 1.281 . . . . 63.12 112.857 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 -7.42 54.52 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 120.204 -0.22 . . . . 73.42 113.463 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -100.28 146.83 26.45 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.737 0.815 . . . . 73.32 110.151 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 93' ' ' LEU . 6.2 tp -112.55 133.97 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.472 0.709 . . . . 72.53 111.111 -177.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -131.46 120.78 23.48 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.268 1.427 . . . . 62.14 108.295 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 tp -89.72 101.88 14.57 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.01 -0.737 . . . . 72.13 109.01 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.34 114.8 24.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.166 0.587 . . . . 65.0 110.629 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.561 HG22 HG13 ' A' ' 20' ' ' VAL . 22.0 t -80.98 100.93 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.309 -0.997 . . . . 60.13 108.309 172.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.409 ' SD ' ' HB1' ' A' ' 86' ' ' ALA . 18.8 mmt -70.49 161.28 30.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.013 0.925 . . . . 71.03 112.658 -176.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -77.25 -3.33 39.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.832 1.253 . . . . 74.04 112.458 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.77 121.9 33.04 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.7 0.8 . . . . 75.25 109.222 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -120.92 160.01 24.36 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.357 1.063 . . . . 74.34 110.065 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 47' ' ' GLU . 41.5 tp -65.86 -23.73 66.72 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.679 0.792 . . . . 75.23 112.87 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.93 -9.16 50.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.184 0.447 . . . . 72.42 111.518 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -86.83 136.53 32.94 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.773 0.429 . . . . 73.11 110.476 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.96 -22.84 58.32 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.399 -0.819 . . . . 74.3 110.023 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 p -80.83 8.74 7.53 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.124 0.969 . . . . 73.41 112.151 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -71.56 129.1 89.06 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.617 0.767 . . . . 75.45 109.713 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.13 -2.41 12.27 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 123.032 2.488 . . . . 73.35 113.915 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.1 mtm -119.44 147.58 44.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.262 -0.644 . . . . 74.42 109.262 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.559 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -72.1 173.22 8.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.174 0.59 . . . . 71.24 109.902 173.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' HD11 ' A' ' 38' ' ' LEU . 31.3 mt-10 -62.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.824 0.85 . . . . 72.24 111.281 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 59.8 m -72.71 -47.77 44.36 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.532 -0.758 . . . . 74.53 110.536 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.7 mm-40 -61.01 -30.15 70.13 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.179 0.592 . . . . 72.32 111.395 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.408 ' HD2' HD21 ' A' ' 38' ' ' LEU . 43.0 t80 -70.13 -44.72 68.31 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.453 0.701 . . . . 74.53 111.16 176.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.7 -35.24 79.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.831 0.348 . . . . 72.43 110.485 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.3 mm-40 -66.37 -36.88 83.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.878 -0.601 . . . . 72.44 110.522 174.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.5 -39.52 85.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.499 0.72 . . . . 75.13 110.976 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 7' ' ' ARG . 78.5 mt -61.44 -46.86 88.33 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.947 0.499 . . . . 65.22 110.785 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.25 -28.31 61.17 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.442 -0.799 . . . . 72.21 110.869 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -67.88 -49.58 61.22 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.171 0.588 . . . . 62.41 110.289 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 48.7 t -62.35 -45.81 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.042 -0.981 . . . . 64.34 110.025 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -21.79 63.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.299 0.64 . . . . 71.22 112.005 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -72.97 -36.37 67.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.307 0.643 . . . . 73.25 109.939 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.66 -36.02 67.85 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.205 0.202 . . . . 74.14 110.864 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.7 mt -66.6 -32.03 73.11 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.206 0.526 . . . . 72.22 109.984 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -68.41 -45.35 72.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.529 1.132 . . . . 75.01 110.729 171.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.93 57.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.821 0.848 . . . . 74.03 112.575 -172.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.553 ' HB3' HD12 ' A' ' 93' ' ' LEU . 91.6 mt -103.6 -19.21 14.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.314 0.646 . . . . 73.15 111.21 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.77 8.68 61.85 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 123.332 0.395 . . . . 64.2 113.3 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.81 -6.13 88.54 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-O 119.516 -0.602 . . . . 72.24 113.706 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.77 43.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.28 1.032 . . . . 75.03 112.834 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.76 -31.61 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.291 -0.868 . . . . 74.3 110.118 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -67.68 -37.53 82.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.493 0.717 . . . . 74.22 111.245 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.73 -42.92 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.977 0.911 . . . . 71.34 110.185 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -64.35 -42.38 96.26 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.496 -0.775 . . . . 75.23 111.094 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -62.88 -46.34 88.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.89 0.876 . . . . 64.11 110.307 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' CD2' HG12 ' A' ' 89' ' ' ILE . 60.0 t80 -68.67 -57.53 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.572 -0.74 . . . . 73.1 111.098 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.1 mt -59.24 -38.28 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.676 0.79 . . . . 74.44 111.987 -174.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 m -69.04 -46.18 68.54 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.835 0.454 . . . . 70.32 111.355 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -82.16 -33.66 29.43 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.616 0.598 . . . . 74.33 112.616 -173.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.5 t -72.28 157.21 38.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.94 0.496 . . . . 75.02 109.676 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -117.37 10.59 13.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.283 0.633 . . . . 74.11 110.83 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.75 142.56 54.92 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.591 0.757 . . . . 74.2 110.288 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -111.08 148.3 38.38 Favored Pre-proline 0 N--CA 1.471 0.62 0 N-CA-C 109.358 -0.608 . . . . 73.34 109.358 169.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.33 120.35 8.06 Favored 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.613 2.209 . . . . 71.3 110.551 168.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -122.16 154.83 36.9 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.383 1.073 . . . . 75.42 108.864 -171.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.71 107.08 0.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.949 0.5 . . . . 75.34 110.534 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.66 -19.48 54.22 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 119.831 -0.427 . . . . 75.43 113.045 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -122.5 110.44 15.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.265 0.626 . . . . 70.54 110.527 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HB1' ' SD ' ' A' ' 34' ' ' MET . . . -83.01 163.53 20.92 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.257 0.623 . . . . 74.13 110.554 171.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 47.4 t -85.57 90.36 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 108.138 -1.06 . . . . 64.02 108.138 173.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -78.23 105.36 9.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.711 0.804 . . . . 74.01 110.025 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.426 HG12 ' CD2' ' A' ' 73' ' ' PHE . 60.8 mt -86.77 108.53 18.71 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 124.186 0.994 . . . . 75.21 109.354 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.49 111.52 3.24 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.684 1.589 . . . . 72.21 109.461 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 29' ' ' ILE . 92.0 mt -82.95 108.88 16.59 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.652 -0.499 . . . . 64.33 109.652 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.45 86.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.175 0.99 . . . . 64.32 108.802 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 64' ' ' LEU . 68.5 mt . . . . . 0 N--CA 1.48 1.049 0 C-N-CA 123.455 0.702 . . . . 74.12 110.982 -174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 109.776 -0.453 . . . . 75.11 109.776 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.3 73.02 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.165 0.291 . . . . 51.41 112.464 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.61 -54.46 35.46 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.178 0.991 . . . . 61.11 109.364 171.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.44 -27.64 66.36 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.138 0.975 . . . . 71.33 111.947 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.561 HD21 HG23 ' A' ' 20' ' ' VAL . 56.2 tp -71.82 -44.09 64.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.396 -0.594 . . . . 70.31 109.396 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.566 ' HB2' HD12 ' A' ' 54' ' ' LEU . 55.9 ttt180 -62.52 -42.71 99.7 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.787 0.679 . . . . 74.12 110.376 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -59.46 -40.74 87.83 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.117 -0.947 . . . . 74.22 110.604 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -29.7 70.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.982 0.513 . . . . 72.44 111.39 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 26.5 mt -79.82 -34.81 39.17 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.654 0.781 . . . . 71.41 110.638 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.27 -52.78 8.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.005 0.922 . . . . 75.1 111.229 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.59 -36.57 64.55 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.457 1.103 . . . . 74.11 112.031 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -81.63 -65.65 0.99 Allowed 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.264 0.352 . . . . 75.21 111.265 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -101.87 -33.9 9.6 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.468 0.707 . . . . 73.03 112.33 -168.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.04 41.38 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.16 -0.244 . . . . 71.45 113.527 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -135.54 141.31 45.2 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.295 0.638 . . . . 74.44 109.739 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 p -82.98 78.99 9.47 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.792 0.837 . . . . 73.15 109.687 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -72.22 156.53 39.04 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.599 0.714 . . . . 74.55 112.793 -175.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.23 142.68 36.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 107.854 -1.165 . . . . 64.34 107.854 167.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.561 HG23 HD21 ' A' ' 6' ' ' LEU . 5.3 m -119.97 125.6 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.647 -0.872 . . . . 73.24 108.647 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.42 125.89 45.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.929 0.892 . . . . 75.11 109.819 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' ILE . 65.3 m-85 -69.61 149.92 47.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.489 0.715 . . . . 74.21 110.223 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -142.13 114.7 8.46 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.468 0.707 . . . . 74.53 109.196 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -107.64 110.07 21.85 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.778 0.831 . . . . 75.2 109.571 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -144.63 139.93 28.37 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.248 1.019 . . . . 72.43 109.014 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 64.38 20.1 12.04 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.598 1.159 . . . . 65.42 111.011 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.35 83.24 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 116.267 -0.424 . . . . 61.22 113.377 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -102.9 160.96 14.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.513 1.125 . . . . 72.13 109.778 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 HG22 ' HB2' ' A' ' 91' ' ' LEU . 7.4 tp -118.04 133.92 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.54 0.686 . . . . 72.53 110.428 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -131.34 123.27 27.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.132 1.373 . . . . 74.0 107.793 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -90.28 97.65 11.31 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.024 -0.732 . . . . 75.24 109.024 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -87.81 102.18 14.42 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.743 0.817 . . . . 72.53 110.274 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 51.7 t -66.96 113.83 3.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.509 -0.769 . . . . 74.11 109.224 175.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmt -70.17 156.39 39.29 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.355 1.062 . . . . 74.53 111.379 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.2 p90 -77.13 -8.11 56.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.473 1.109 . . . . 75.32 111.786 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -81.21 136.24 35.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.261 1.024 . . . . 73.21 108.803 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -135.25 157.93 45.65 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.287 0.635 . . . . 75.41 110.057 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD21 ' CD2' ' A' ' 50' ' ' TYR . 40.5 tp -65.31 -19.99 66.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.846 0.859 . . . . 71.05 112.149 -171.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -68.9 -23.69 64.22 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 122.329 0.252 . . . . 75.4 111.071 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -73.78 131.04 41.15 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.259 0.624 . . . . 74.24 110.503 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.66 63.64 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.943 0.897 . . . . 75.44 110.829 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 m -79.58 6.87 9.44 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.239 1.016 . . . . 71.13 112.51 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -70.48 124.1 90.24 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.325 0.65 . . . . 74.32 109.585 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -82.09 4.92 6.68 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 123.145 2.563 . . . . 73.43 114.187 -170.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.7 mtm -121.87 154.75 36.67 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.876 -0.787 . . . . 72.13 108.876 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.679 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 1.6 m-20 -68.6 167.46 15.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.172 -0.677 . . . . 74.13 109.172 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.37 -38.14 89.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.099 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 17.3 m -62.17 -51.88 66.04 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 123.599 0.562 . . . . 75.44 109.764 173.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.2 mm-40 -59.82 -32.74 70.94 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.722 0.809 . . . . 73.5 111.699 -176.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.479 ' CD2' HD21 ' A' ' 38' ' ' LEU . 39.9 t80 -65.02 -47.69 76.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.785 0.834 . . . . 73.24 110.635 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -70.39 -34.35 72.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.569 0.347 . . . . 75.52 110.492 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 48' ' ' THR . 16.6 mm-40 -62.32 -43.56 98.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.669 0.788 . . . . 73.23 109.784 173.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.05 -44.42 96.72 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.579 1.174 . . . . 74.14 110.512 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 7' ' ' ARG . 88.6 mt -60.43 -49.22 78.42 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.855 0.722 . . . . 73.22 111.125 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -71.09 -28.65 64.49 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.063 0.852 . . . . 75.03 110.404 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 t -70.84 -40.32 72.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.417 0.687 . . . . 74.43 110.026 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 37.9 t -67.66 -49.95 65.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 123.722 0.809 . . . . 63.34 110.281 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -69.45 -27.07 64.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.754 0.822 . . . . 65.33 111.639 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.08 -41.01 74.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.796 0.838 . . . . 51.53 109.861 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -40.36 89.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.346 1.059 . . . . 74.3 109.741 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 94.8 mt -65.32 -39.95 93.09 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.06 0.944 . . . . 74.02 110.073 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.81 -39.49 93.67 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.247 1.019 . . . . 75.44 110.703 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.89 90.4 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.434 0.694 . . . . 70.41 110.691 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.05 -27.9 60.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.906 0.882 . . . . 74.12 112.011 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.4 2.79 84.95 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 116.46 -0.336 . . . . 71.23 112.266 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.62 2.31 88.14 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 119.673 -0.515 . . . . 74.55 113.25 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.317 0.647 . . . . 72.51 110.836 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.39 -34.6 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.907 0.883 . . . . 74.53 110.142 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.48 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 17.2 mm-40 -68.39 -36.32 78.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.106 0.563 . . . . 74.34 111.771 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.45 ' HA ' HG21 ' A' ' 89' ' ' ILE . 80.9 t -65.14 -44.94 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 123.831 0.707 . . . . 75.24 110.172 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 8.6 mtpm? -65.09 -51.6 60.44 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.228 -0.896 . . . . 75.0 111.264 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -61.82 -40.26 94.63 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.6 1.16 . . . . 74.11 111.29 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CD2' HG12 ' A' ' 89' ' ' ILE . 66.6 t80 -66.99 -61.37 1.97 Allowed 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.226 0.611 . . . . 74.4 110.084 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mt -55.49 -43.42 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 124.275 1.03 . . . . 73.41 112.117 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -57.51 -53.42 58.39 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.459 0.704 . . . . 71.43 111.701 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -77.76 -41.69 36.66 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.067 -0.515 . . . . 74.15 111.975 -171.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.5 t -72.95 148.57 44.16 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.8 0.44 . . . . 75.34 110.265 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -106.97 14.86 25.98 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.246 0.618 . . . . 72.15 110.591 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.55 122.23 17.11 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 123.233 0.613 . . . . 74.32 110.251 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -108.36 133.12 20.69 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 124.383 1.073 . . . . 75.2 108.95 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.22 122.89 12.31 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.41 2.74 . . . . 74.13 111.832 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 39.0 ttm180 -131.22 155.74 46.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.118 1.367 . . . . 75.23 108.789 -171.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.02 104.29 0.55 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.348 0.659 . . . . 75.34 110.202 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.9 -10.16 58.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 115.763 -0.653 . . . . 71.25 113.364 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 7.7 tmtm? -124.2 103.9 8.52 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.96 0.904 . . . . 72.14 108.742 177.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 148.72 24.7 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.541 0.737 . . . . 72.2 109.669 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.1 t -78.96 89.18 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.761 -1.199 . . . . 74.45 107.761 172.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 t -78.44 93.4 4.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.638 -1.165 . . . . 72.13 109.059 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.45 HG21 ' HA ' ' A' ' 70' ' ' VAL . 56.7 mt -77.43 110.86 13.87 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.043 -0.98 . . . . 72.34 108.946 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.38 112.99 3.66 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 121.351 1.367 . . . . 74.45 109.989 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HB2' HG22 ' A' ' 29' ' ' ILE . 61.2 mt -77.23 91.03 3.73 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.338 -0.986 . . . . 75.42 108.338 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.48 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 12.1 t70 -70.47 99.99 1.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.439 -1.255 . . . . 73.43 108.67 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.466 0.354 0 CA-C-N 115.025 -0.989 . . . . 74.34 110.89 -173.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 108.155 -1.054 . . . . 73.54 108.155 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.62 -30.98 69.81 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 123.037 0.21 . . . . 72.11 112.729 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -59.5 -56.07 26.57 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.883 0.873 . . . . 71.55 110.555 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.31 -34.13 77.03 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.678 0.791 . . . . 72.53 111.781 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG23 ' A' ' 20' ' ' VAL . 39.8 tp -65.67 -44.03 87.54 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.715 0.634 . . . . 73.43 109.848 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.573 ' HB2' HD13 ' A' ' 54' ' ' LEU . 61.5 ttt180 -65.67 -41.48 92.41 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.214 0.606 . . . . 75.45 110.342 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -69.52 -22.05 63.62 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 72.22 111.207 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.99 -37.09 55.84 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.696 -0.483 . . . . 74.42 109.696 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 43.9 mt -76.47 -33.88 58.7 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.749 0.82 . . . . 75.22 110.545 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.75 -43.84 35.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.949 0.9 . . . . 62.35 111.428 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.35 -34.56 78.24 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.483 0.313 . . . . 74.22 110.764 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -81.68 -66.57 0.87 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.176 -0.466 . . . . 74.34 111.01 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.455 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.4 m-90 -102.68 -11.99 18.0 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.944 0.72 . . . . 74.32 112.944 -169.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.87 -1.61 87.92 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 113.707 0.243 . . . . 63.24 113.707 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -132.22 134.53 45.44 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.038 0.935 . . . . 73.21 109.58 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -85.73 93.94 8.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.213 0.605 . . . . 73.52 109.665 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 98.0 m-85 -82.72 160.42 22.36 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.331 0.652 . . . . 74.31 112.55 -176.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.14 140.54 41.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.759 -1.109 . . . . 70.02 108.29 169.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.512 HG23 HD21 ' A' ' 6' ' ' LEU . 8.8 m -128.76 125.46 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.509 -0.923 . . . . 63.53 108.509 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -116.84 148.46 41.22 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.519 . . . . 72.31 109.983 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 29' ' ' ILE . 45.2 m-85 -86.05 121.39 28.6 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 109.755 -0.461 . . . . 73.11 109.755 173.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.618 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 31.7 tpt180 -99.82 111.61 23.92 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.342 -0.985 . . . . 75.25 108.342 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.44 95.82 6.09 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.587 -1.264 . . . . 74.03 107.587 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 139.59 34.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.868 0.467 . . . . 74.44 109.886 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 63.53 27.84 15.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.081 1.352 . . . . 64.11 111.216 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.1 -3.36 71.66 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 115.78 -0.645 . . . . 74.14 113.677 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -101.05 163.21 12.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.29 1.036 . . . . 74.33 110.736 -171.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.8 tp -116.96 133.14 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-O 121.629 0.728 . . . . 74.04 109.994 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.618 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 59.5 m-85 -130.19 163.54 26.46 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 124.91 1.284 . . . . 75.25 108.135 177.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 tp -128.07 98.34 5.08 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.24 -0.652 . . . . 74.23 109.24 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -87.52 105.34 17.25 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.092 0.557 . . . . 74.13 110.412 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 46.6 t -68.74 103.42 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 N-CA-C 108.789 -0.819 . . . . 74.05 108.789 173.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.469 ' HA ' ' HE2' ' A' ' 34' ' ' MET . 8.5 mmt -64.36 156.1 30.27 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.166 0.986 . . . . 75.43 111.51 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 44.4 p90 -77.39 -14.04 59.8 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.817 0.847 . . . . 74.21 111.638 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -78.28 110.0 12.91 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.098 0.559 . . . . 75.01 109.585 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 18.4 p90 -100.47 158.42 15.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.977 0.511 . . . . 73.35 110.195 173.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD22 ' HG2' ' A' ' 47' ' ' GLU . 53.9 tp -62.16 -26.95 68.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.972 0.909 . . . . 74.12 112.529 -171.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 35.3 tt0 -64.86 -23.73 67.32 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.39 0.676 . . . . 71.24 111.544 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.06 129.44 39.9 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.348 0.659 . . . . 74.31 110.415 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.39 62.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.958 0.903 . . . . 74.1 111.671 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -85.48 5.46 31.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.223 1.009 . . . . 74.3 111.825 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -68.62 123.54 88.0 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 122.873 0.469 . . . . 74.13 109.948 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.43 3.01 5.67 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.045 2.497 . . . . 73.44 114.701 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.58 157.22 42.68 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.039 0.935 . . . . 74.04 109.916 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -79.82 177.21 9.06 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.701 0.8 . . . . 72.51 109.882 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' HG2' HD22 ' A' ' 38' ' ' LEU . 45.8 mt-10 -64.79 -41.25 95.96 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.105 0.562 . . . . 70.41 111.731 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 m -72.33 -41.81 66.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.826 0.451 . . . . 74.23 110.69 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.62 -36.49 82.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.973 0.509 . . . . 73.2 110.858 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD2' HD21 ' A' ' 38' ' ' LEU . 35.7 t80 -68.31 -39.94 81.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.089 0.955 . . . . 75.43 110.664 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -76.66 -31.16 57.14 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 122.267 0.227 . . . . 64.22 110.587 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.47 -35.58 80.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.139 0.575 . . . . 64.41 110.4 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.78 -46.52 78.43 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.233 -0.894 . . . . 70.55 109.966 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 7' ' ' ARG . 86.5 mt -60.53 -46.5 89.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 75.42 110.864 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.93 -32.71 69.71 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.949 0.781 . . . . 75.32 111.358 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.3 t -67.99 -46.42 71.37 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.065 0.546 . . . . 73.4 110.188 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.4 t -59.64 -45.81 93.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 O-C-N 124.051 0.844 . . . . 70.3 109.865 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.38 73.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.475 1.11 . . . . 63.22 111.764 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.26 -39.71 86.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.276 1.03 . . . . 65.35 109.724 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -72.28 -35.25 68.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.425 0.69 . . . . 75.44 111.447 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 74.7 mt -63.84 -42.95 97.49 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.565 -0.532 . . . . 75.24 109.565 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -67.08 -46.05 75.46 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.429 -0.805 . . . . 74.43 110.567 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.49 81.47 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.747 0.819 . . . . 74.41 111.772 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -82.52 -19.8 37.97 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.173 -0.921 . . . . 75.32 111.189 -176.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.73 4.99 67.02 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 123.068 0.366 . . . . 52.14 113.036 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.22 3.59 85.67 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 119.343 -0.698 . . . . 74.42 114.072 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -60.57 -49.24 78.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.666 0.786 . . . . 72.13 111.825 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.93 -34.29 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 115.041 -0.981 . . . . 73.03 109.822 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -63.97 -39.01 93.17 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.533 0.733 . . . . 75.14 111.955 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.59 -45.91 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.585 0.754 . . . . 74.23 109.921 175.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -59.07 -52.17 66.89 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.07 0.856 . . . . 73.14 111.009 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.3 m -60.28 -40.61 91.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.513 1.125 . . . . 64.11 110.768 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.27 -54.45 24.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.53 -0.759 . . . . 72.12 109.979 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 77' ' ' THR . 42.9 mt -63.77 -33.3 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.82 0.848 . . . . 75.24 111.652 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.2 m -66.1 -44.15 85.2 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.327 0.651 . . . . 75.1 110.356 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -84.61 -28.39 26.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.048 0.539 . . . . 74.03 112.397 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.9 t -73.02 148.45 44.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.394 0.616 . . . . 74.04 111.189 -172.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.23 4.1 17.57 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.858 -1.065 . . . . 71.2 109.726 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -83.31 143.6 30.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.459 0.703 . . . . 63.31 110.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.455 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 14.2 mtp180 -116.07 143.79 31.6 Favored Pre-proline 0 C--O 1.242 0.674 0 C-N-CA 124.502 1.121 . . . . 75.03 109.614 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.09 118.04 5.37 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.284 1.989 . . . . 70.22 110.778 172.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -122.62 165.14 16.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.645 0.778 . . . . 75.52 109.111 -176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.8 tp -54.62 106.36 0.21 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.532 0.733 . . . . 72.34 111.052 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.78 -28.33 12.57 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.479 -0.782 . . . . 74.04 112.748 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -114.44 119.37 36.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.696 0.799 . . . . 70.14 111.041 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.99 159.08 15.19 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.797 0.839 . . . . 71.32 110.349 171.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.5 t -90.79 89.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 108.067 -1.086 . . . . 64.25 108.067 171.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -77.25 100.47 5.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.963 0.905 . . . . 74.34 109.771 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -85.96 111.43 38.02 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.261 1.024 . . . . 70.41 109.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.41 115.53 4.26 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.298 1.998 . . . . 74.23 111.336 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.0 mt -84.43 96.96 9.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.149 -0.686 . . . . 73.44 109.149 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.13 93.5 3.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.357 -0.838 . . . . 74.41 109.725 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.478 0.937 0 CA-C-N 115.691 -0.686 . . . . 70.3 111.171 -172.752 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--O 1.246 0.91 0 CA-C-O 120.583 0.23 . . . . 74.35 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -25.24 70.57 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.983 -0.553 . . . . 73.41 112.711 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -61.18 -47.65 85.19 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.898 0.879 . . . . 70.23 110.644 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.19 -38.51 88.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.783 0.433 . . . . 73.15 111.257 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.697 HD22 HG21 ' A' ' 20' ' ' VAL . 44.3 tp -64.07 -43.85 94.21 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.139 -0.937 . . . . 72.24 110.366 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -67.06 -41.85 85.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.894 0.878 . . . . 74.23 110.973 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.474 ' NE2' HD11 ' A' ' 11' ' ' LEU . 24.3 mm-40 -66.77 -22.98 66.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.788 0.835 . . . . 74.32 110.936 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.09 -36.76 55.49 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.946 0.898 . . . . 72.51 110.411 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 28.0 mt -71.76 -38.11 70.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.291 0.636 . . . . 75.13 109.873 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.474 HD11 ' NE2' ' A' ' 8' ' ' GLN . 96.2 mt -74.45 -37.2 63.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.866 0.866 . . . . 73.13 110.901 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.65 -56.01 21.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.437 1.095 . . . . 64.33 110.454 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HZ1' ' HB2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -84.86 -58.95 2.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.43 -1.259 . . . . 72.53 111.823 -169.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.496 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.5 m0 -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.504 0.557 . . . . 73.32 112.504 -168.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.36 4.57 85.97 Favored Glycine 0 C--N 1.348 1.247 0 N-CA-C 114.507 0.563 . . . . 44.1 114.507 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.8 m-85 -132.25 145.15 51.11 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.964 0.505 . . . . 74.55 109.931 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.6 p -83.62 80.83 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.231 -0.895 . . . . 73.41 109.791 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 84.1 m-85 -77.57 147.98 35.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.19 0.596 . . . . 73.5 111.99 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.27 141.88 48.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.713 -0.847 . . . . 71.41 108.713 169.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.697 HG21 HD22 ' A' ' 6' ' ' LEU . 17.0 m -129.07 127.19 65.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.422 -0.955 . . . . 63.24 108.422 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -129.94 143.24 50.7 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.992 0.517 . . . . 73.35 110.142 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.8 m-85 -77.59 152.65 33.85 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.216 -0.902 . . . . 74.24 111.555 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -143.04 120.85 11.92 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.313 -0.858 . . . . 74.32 108.704 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -115.45 107.52 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.789 0.836 . . . . 75.45 108.832 -170.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -144.24 137.99 27.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.52 0.728 . . . . 54.22 109.878 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 59.76 29.36 18.92 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.615 1.166 . . . . 73.0 111.567 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.34 4.57 84.4 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 116.338 -0.392 . . . . 65.31 113.589 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -104.24 160.08 15.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.292 1.037 . . . . 73.44 110.131 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.564 HD11 ' HB3' ' A' ' 22' ' ' PHE . 11.1 tp -122.43 136.66 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 109.549 -0.537 . . . . 72.2 109.549 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.62 124.14 27.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.273 1.029 . . . . 74.23 108.742 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -91.49 98.44 11.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.588 -0.893 . . . . 71.24 108.588 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -87.26 111.89 21.48 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 110.134 -0.321 . . . . 73.01 110.134 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 55.5 t -69.72 112.31 4.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 123.871 0.869 . . . . 75.22 109.49 173.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 36.7 mmt -71.68 156.74 39.02 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.776 0.798 . . . . 73.12 111.347 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -76.6 -14.96 59.95 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.937 1.695 . . . . 75.41 110.825 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -73.33 107.9 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.854 0.862 . . . . 73.0 109.025 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -108.68 153.89 22.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.674 0.39 . . . . 75.3 110.157 172.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.99 -25.36 65.19 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.418 1.074 . . . . 62.42 112.642 -171.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.46 -3.64 28.79 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.684 0.794 . . . . 51.43 112.447 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.46 138.7 32.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.426 0.69 . . . . 65.42 109.654 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.3 62.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.736 0.815 . . . . 73.42 110.928 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.2 p -69.19 -15.06 63.31 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.346 1.058 . . . . 72.32 112.676 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.39 125.79 85.02 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 124.158 0.983 . . . . 75.32 110.602 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -82.08 2.78 8.3 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.919 2.412 . . . . 72.34 114.721 -165.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.5 mtm -123.0 154.9 37.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.308 0.643 . . . . 75.41 110.4 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -77.39 170.33 16.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.63 0.772 . . . . 64.11 109.956 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.49 -61.46 2.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.965 0.906 . . . . 74.14 112.684 -170.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 14.3 m -65.97 -36.6 83.78 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.693 0.797 . . . . 74.34 110.839 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.24 -31.09 70.33 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.054 0.541 . . . . 72.13 111.31 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' CZ ' HD13 ' A' ' 54' ' ' LEU . 15.9 t80 -66.6 -37.99 86.07 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.247 0.619 . . . . 74.32 110.321 170.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -67.12 -38.67 85.99 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.107 0.563 . . . . 74.52 110.537 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' THR . 17.0 mm-40 -70.48 -30.65 67.51 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.972 0.509 . . . . 75.54 110.746 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -64.05 -48.34 76.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.501 0.72 . . . . 73.14 110.254 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 73.0 mt -61.89 -38.06 86.9 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.625 0.578 . . . . 75.11 110.804 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.22 -29.36 62.75 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.911 -1.04 . . . . 73.02 110.617 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 t -70.28 -43.05 71.24 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.859 0.864 . . . . 73.52 110.182 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.7 t -61.24 -47.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 114.995 -1.002 . . . . 63.43 109.891 176.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.0 -24.13 62.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.737 0.815 . . . . 73.41 111.878 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.09 -44.27 84.87 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.518 0.727 . . . . 71.5 109.662 172.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.06 -40.15 94.31 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.341 -0.845 . . . . 75.11 110.842 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.4 mt -62.59 -39.31 93.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.886 0.474 . . . . 73.21 110.644 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.87 -49.45 70.47 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.394 0.677 . . . . 75.21 110.56 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.47 97.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.435 0.694 . . . . 72.14 112.286 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.78 -18.04 48.91 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.422 -0.808 . . . . 74.22 111.637 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.84 85.9 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 112.139 -0.385 . . . . 75.12 112.139 -168.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.45 -2.91 88.43 Favored Glycine 0 C--N 1.352 1.456 0 CA-C-O 119.464 -0.631 . . . . 71.03 113.068 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.82 -49.0 76.65 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.59 0.756 . . . . 74.55 110.984 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.67 -30.68 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 114.911 -1.04 . . . . 73.43 110.487 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -66.57 -45.57 78.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.018 0.527 . . . . 73.53 110.725 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' HA ' HG22 ' A' ' 89' ' ' ILE . 88.9 t -66.69 -45.07 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.493 0.717 . . . . 75.31 110.939 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 9.6 mtpm? -62.04 -54.19 44.92 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.66 -0.7 . . . . 74.44 110.906 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -58.75 -43.24 90.23 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.92 0.888 . . . . 73.45 111.556 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.59 -59.67 4.32 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.495 0.497 . . . . 74.43 110.519 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.53 ' HA ' HG22 ' A' ' 77' ' ' THR . 52.7 mt -62.65 -37.14 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.476 0.71 . . . . 75.44 111.365 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -65.52 -38.16 88.85 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.327 0.651 . . . . 74.34 111.77 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -95.8 -10.41 29.12 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.47 0.545 . . . . 74.53 112.47 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 74' ' ' ILE . 5.9 t -97.45 157.67 15.88 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.591 0.632 . . . . 73.45 109.603 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -127.93 27.86 5.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.48 1.112 . . . . 72.43 108.229 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -99.03 125.14 44.44 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.62 0.768 . . . . 73.42 110.634 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.496 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 67.7 mtp180 -100.34 146.13 31.45 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.268 -0.878 . . . . 74.25 110.65 -177.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.53 141.12 41.31 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.551 2.167 . . . . 73.41 111.476 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 2.9 tmt_? -136.22 162.09 33.93 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.821 1.248 . . . . 75.43 108.089 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.54 104.01 0.1 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.496 0.718 . . . . 74.33 111.425 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.4 -34.28 5.68 Favored Glycine 0 N--CA 1.473 1.158 0 CA-C-N 115.685 -0.689 . . . . 74.25 112.284 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 23.4 tptm -87.96 113.4 23.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.716 1.206 . . . . 74.45 110.754 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.87 147.87 24.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.51 . . . . 71.42 110.364 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.2 t -89.44 91.68 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.098 -1.075 . . . . 72.23 108.098 171.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 t -78.43 105.47 9.71 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.483 0.713 . . . . 74.13 109.332 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG22 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -87.78 113.13 53.13 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.501 0.72 . . . . 71.31 109.23 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.56 113.69 3.59 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 121.992 1.795 . . . . 63.33 110.652 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.511 ' HB2' HG23 ' A' ' 29' ' ' ILE . 57.8 mt -89.45 95.0 10.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.5 -0.926 . . . . 73.5 108.5 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.36 107.69 1.71 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.149 -0.685 . . . . 71.24 109.149 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 CA--C 1.538 0.515 0 CA-C-N 114.988 -1.006 . . . . 74.41 109.522 171.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.429 HG23 ' HB3' ' A' ' 4' ' ' GLN . 4.2 t . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.554 -0.536 . . . . 73.04 109.554 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.29 -17.76 53.52 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-N 115.697 -0.683 . . . . 73.25 113.617 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 58.7 tt0 -62.49 -61.81 2.18 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.665 0.786 . . . . 72.42 109.78 171.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.43 -35.57 68.0 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.186 0.594 . . . . 75.33 111.701 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 20' ' ' VAL . 17.2 tp -69.28 -47.69 63.83 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.234 -0.894 . . . . 74.52 111.349 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.487 ' NH2' ' HG2' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -67.66 -39.33 84.54 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 118.112 0.414 . . . . 72.22 110.951 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -66.71 -27.55 67.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.966 0.506 . . . . 72.13 111.41 -176.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.33 -38.97 78.44 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.588 0.755 . . . . 74.11 109.879 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.1 mt -76.85 -33.82 57.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.922 0.889 . . . . 73.25 110.821 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.6 mt -77.97 -29.43 49.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.295 1.038 . . . . 72.23 111.097 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.76 -44.05 21.42 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.288 -0.415 . . . . 74.42 109.888 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 74' ' ' ILE . 24.8 tptp -76.67 -57.97 3.55 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.662 -0.699 . . . . 74.13 111.614 -172.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -107.9 -16.65 14.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.872 0.469 . . . . 73.44 111.782 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.27 6.5 68.68 Favored Glycine 0 N--CA 1.472 1.075 0 CA-C-O 119.911 -0.383 . . . . 71.31 113.988 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 92.0 m-85 -142.22 147.43 36.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.466 0.706 . . . . 73.13 110.248 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -86.93 86.42 7.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.518 0.727 . . . . 75.33 109.895 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.7 m-85 -79.22 146.38 33.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.369 0.668 . . . . 73.52 112.019 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.72 128.89 37.69 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.882 -0.414 . . . . 71.43 109.882 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.565 HG22 HD21 ' A' ' 6' ' ' LEU . 16.3 m -114.21 126.82 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 108.602 -0.888 . . . . 73.21 108.602 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -142.23 143.87 33.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.798 0.439 . . . . 75.44 110.209 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' HB3' HD11 ' A' ' 29' ' ' ILE . 81.9 m-85 -74.72 158.83 32.88 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.699 0.8 . . . . 70.3 111.601 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 19.1 tpt180 -146.25 117.92 8.09 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.443 -0.798 . . . . 75.14 109.266 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.89 111.49 24.03 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.761 0.825 . . . . 73.44 109.621 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -145.93 137.36 24.87 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 109.377 -0.601 . . . . 63.12 109.377 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 64.93 15.53 9.99 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.986 1.314 . . . . 72.14 112.93 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.0 0.79 77.22 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-O 120.499 -0.056 . . . . 74.42 113.073 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.17 162.61 12.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.12 0.968 . . . . 74.2 110.741 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -123.85 134.78 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.642 0.777 . . . . 74.35 109.303 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.446 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 82.8 m-85 -132.05 135.97 46.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.78 1.232 . . . . 75.41 109.083 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -97.39 100.35 11.79 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.149 -0.685 . . . . 74.3 109.149 171.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -90.37 109.36 20.48 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.227 0.537 . . . . 63.2 110.959 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.625 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -74.44 106.64 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 114.597 -1.183 . . . . 74.21 109.311 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -63.13 163.87 9.44 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.299 1.039 . . . . 74.41 112.101 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.55 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 25.2 p90 -85.77 -8.16 58.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.618 1.167 . . . . 72.42 112.217 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -96.65 144.01 27.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.957 0.503 . . . . 75.23 110.095 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -135.05 159.39 41.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.103 -0.953 . . . . 73.31 110.835 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 50' ' ' TYR . 48.8 tp -67.38 -22.92 65.54 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.222 1.009 . . . . 73.32 112.404 -171.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -70.95 -11.2 60.83 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.321 0.649 . . . . 54.14 110.892 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -84.62 131.35 34.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.833 0.853 . . . . 74.21 109.399 168.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -11.41 60.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.402 0.681 . . . . 74.32 111.105 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.6 t -84.13 -11.44 56.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.111 0.964 . . . . 74.42 111.702 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.28 124.2 76.76 Favored Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 123.794 0.837 . . . . 74.01 110.295 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.21 -37.74 59.75 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 123.519 2.813 . . . . 72.12 113.947 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.1 mtm -96.55 144.6 26.48 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.031 0.532 . . . . 64.12 110.001 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -83.36 -179.1 7.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.781 0.832 . . . . 74.23 109.356 174.387 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.0 mt-10 -59.81 -45.29 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.784 0.661 . . . . 72.15 112.784 -171.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.8 m -81.16 -33.09 33.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.851 0.46 . . . . 65.33 110.529 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -59.39 -48.48 81.48 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.515 0.674 . . . . 74.42 110.268 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.518 ' HD2' HD23 ' A' ' 38' ' ' LEU . 48.8 t80 -72.9 -33.9 66.31 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 114.401 -1.272 . . . . 73.22 111.643 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.487 ' HG2' ' NH2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -66.78 -46.98 73.58 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.253 0.549 . . . . 75.21 109.71 -177.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.98 -26.06 62.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.471 -0.786 . . . . 73.42 111.014 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -63.75 -44.25 94.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.533 0.733 . . . . 72.51 110.199 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 7' ' ' ARG . 87.4 mt -59.71 -49.07 79.17 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.3 0.64 . . . . 75.32 110.811 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.18 -32.48 73.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 124.012 0.82 . . . . 74.03 110.796 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.2 t -70.22 -46.92 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.557 0.743 . . . . 72.1 110.62 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.5 t -61.1 -44.13 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.777 0.831 . . . . 74.4 110.192 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -28.28 67.05 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.672 1.189 . . . . 64.34 111.858 -176.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.84 -46.87 76.92 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.483 -0.781 . . . . 74.43 109.584 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.82 -33.44 75.87 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.69 0.619 . . . . 72.34 111.743 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 78.7 mt -61.06 -41.83 97.35 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 122.446 0.299 . . . . 71.0 110.63 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -76.2 -40.21 52.83 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.458 0.303 . . . . 74.34 111.223 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.96 90.97 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.04 0.936 . . . . 71.12 110.953 -177.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.3 -24.31 29.92 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.311 -1.313 . . . . 62.11 110.703 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.6 8.99 61.85 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 113.795 0.278 . . . . 73.55 113.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.16 4.02 86.45 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-O 119.532 -0.593 . . . . 72.21 113.543 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -62.85 -46.44 87.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.557 0.743 . . . . 75.51 111.872 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -35.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 115.491 -0.777 . . . . 74.1 110.06 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.25 -33.69 74.85 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.455 0.702 . . . . 74.42 111.353 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.97 -46.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.671 0.788 . . . . 75.52 110.225 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -69.83 -22.18 63.3 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.241 -0.89 . . . . 74.42 111.81 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -78.19 -54.87 5.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.262 -0.644 . . . . 64.15 109.262 173.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -63.39 -59.72 4.32 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.148 -0.933 . . . . 72.12 111.211 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 52.9 mt -56.92 -45.92 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.602 0.761 . . . . 74.32 111.451 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -65.63 -27.66 68.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.299 0.64 . . . . 74.43 111.889 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -95.12 -33.93 12.47 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.816 0.673 . . . . 63.34 112.816 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -76.9 126.82 31.62 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.145 0.498 . . . . 75.14 111.162 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -87.35 6.43 33.66 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.272 0.629 . . . . 75.42 110.888 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.78 140.88 40.9 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.433 0.693 . . . . 72.25 110.021 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -115.36 142.96 29.51 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.395 -0.82 . . . . 73.45 109.328 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 45.4 Cg_endo -70.06 119.18 6.15 Favored 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.04 1.827 . . . . 73.42 110.412 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 77.1 ttt180 -125.21 162.1 25.43 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.963 1.305 . . . . 75.34 108.848 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.4 tp -48.52 111.96 0.53 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.274 0.63 . . . . 55.43 110.709 174.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.74 -34.65 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.032 -0.531 . . . . 50.15 112.627 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 61.8 tttp -90.94 103.19 15.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.808 0.843 . . . . 65.35 110.821 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.87 137.17 32.6 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.361 -0.607 . . . . 75.11 109.361 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.625 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.2 t -76.85 88.16 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 N-CA-C 108.116 -1.068 . . . . 73.44 108.116 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -83.34 108.33 16.46 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.263 -0.881 . . . . 74.52 109.309 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.7 mt -89.52 109.68 33.57 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.056 0.942 . . . . 73.3 109.341 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.01 112.31 2.68 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 121.724 1.616 . . . . 74.42 110.24 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' HG22 ' A' ' 29' ' ' ILE . 72.6 mt -84.82 95.62 9.04 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.729 -0.841 . . . . 74.24 108.729 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.61 90.44 1.36 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.537 -1.21 . . . . 72.22 110.587 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.1 mt . . . . . 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 74.3 110.35 179.737 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.498 -0.186 . . . . 70.43 110.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.45 -23.2 73.51 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.414 0.446 . . . . 75.05 112.812 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -61.04 -51.05 70.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.054 0.942 . . . . 71.22 109.594 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -67.89 -39.81 83.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.365 -0.834 . . . . 74.24 110.478 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.606 HD23 HG22 ' A' ' 20' ' ' VAL . 47.1 tp -61.88 -44.17 97.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.321 -0.854 . . . . 72.15 110.437 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.505 HH22 HD23 ' A' ' 38' ' ' LEU . 44.6 ttt180 -63.64 -46.05 87.4 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.088 0.555 . . . . 65.44 110.566 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.77 -24.47 67.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.575 0.75 . . . . 64.32 112.133 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.71 -40.34 63.66 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.526 0.731 . . . . 74.41 110.138 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.0 mt -71.3 -35.82 71.43 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.596 0.759 . . . . 73.52 110.19 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.92 -36.05 56.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.858 0.863 . . . . 75.22 111.427 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.22 -49.4 72.13 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.769 0.668 . . . . 62.41 111.184 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -85.77 -50.24 7.31 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.475 -0.784 . . . . 75.42 111.565 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.54 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 18.6 m0 -105.59 -23.08 12.85 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.8 0.667 . . . . 75.51 112.8 -169.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.48 81.06 Favored Glycine 0 N--CA 1.479 1.566 0 N-CA-C 114.085 0.394 . . . . 42.42 114.085 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -132.84 143.29 49.43 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.458 0.703 . . . . 74.53 109.614 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -87.31 81.47 7.89 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.506 -0.924 . . . . 75.41 108.506 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -75.56 145.2 41.42 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.599 0.76 . . . . 75.22 111.518 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.61 143.49 56.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.072 -0.714 . . . . 62.21 109.072 173.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.606 HG22 HD23 ' A' ' 6' ' ' LEU . 14.6 m -129.41 138.86 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.962 0.905 . . . . 74.53 108.867 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.05 145.88 26.64 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.494 0.717 . . . . 74.2 110.631 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' HB3' HD13 ' A' ' 29' ' ' ILE . 93.8 m-85 -81.31 152.5 27.53 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.583 0.753 . . . . 63.25 110.565 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -145.78 129.1 16.8 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.054 0.942 . . . . 74.55 109.009 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -100.45 96.36 7.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.625 -0.88 . . . . 75.0 108.625 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -133.37 139.56 46.87 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.921 -0.77 . . . . 74.42 108.921 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 68.82 18.03 8.67 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.175 1.39 . . . . 74.31 111.462 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.37 6.3 86.35 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.5 -0.318 . . . . 64.33 113.08 -176.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -106.48 -176.42 3.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.889 1.276 . . . . 74.11 109.637 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 91' ' ' LEU . 9.8 tp -130.93 129.45 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 N-CA-C 109.282 -0.636 . . . . 72.44 109.282 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.07 130.56 45.03 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.245 1.018 . . . . 75.21 109.278 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.7 tp -92.8 100.14 12.68 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.825 -0.806 . . . . 70.3 108.825 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -85.19 112.76 21.01 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 109.758 -0.46 . . . . 75.05 109.758 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 t -79.31 105.23 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 114.958 -1.019 . . . . 71.33 109.017 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.43 152.07 44.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.614 1.165 . . . . 74.21 111.671 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.424 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 36.0 p90 -73.67 -18.99 60.96 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.28 1.032 . . . . 75.24 111.808 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.83 115.63 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.792 0.837 . . . . 74.43 109.308 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 3.9 p90 -110.53 164.99 12.17 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.006 0.922 . . . . 74.43 109.606 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.505 HD23 HH22 ' A' ' 7' ' ' ARG . 42.5 tp -68.42 -23.78 64.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 118.877 0.762 . . . . 73.31 111.703 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -70.7 -5.5 30.2 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.838 0.855 . . . . 73.21 110.936 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tp60 -59.87 132.03 52.69 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 124.71 1.204 . . . . 74.34 110.458 177.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.0 -21.96 66.72 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.137 0.575 . . . . 74.5 111.867 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -134.9 68.22 1.48 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.698 0.799 . . . . 75.23 109.763 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.09 121.99 81.18 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.182 -1.044 . . . . 74.31 108.182 169.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.15 -11.66 6.27 Favored 'Trans proline' 0 N--CA 1.513 2.638 0 C-N-CA 123.921 3.08 . . . . 74.33 115.545 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 mtp -123.7 156.3 36.22 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.005 0.922 . . . . 75.31 110.183 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.615 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 72.8 m-20 -76.56 171.73 14.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.111 0.564 . . . . 74.23 110.588 175.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.79 -41.08 97.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.949 0.9 . . . . 74.55 111.064 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -67.77 -46.38 72.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.623 0.769 . . . . 74.22 110.523 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.615 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.6 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.125 0.97 . . . . 71.12 110.222 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.45 ' HD2' HD21 ' A' ' 38' ' ' LEU . 68.4 t80 -70.25 -38.77 75.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.092 -1.413 . . . . 75.31 112.079 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.7 -44.77 80.82 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.647 -0.501 . . . . 63.12 109.647 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.83 -23.72 62.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.81 0.844 . . . . 73.41 111.275 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.57 -45.94 74.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.104 0.562 . . . . 74.45 109.882 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 7' ' ' ARG . 96.0 mt -60.68 -38.83 86.24 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.835 0.709 . . . . 73.15 110.146 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.99 -39.67 87.19 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.137 0.898 . . . . 73.03 110.881 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -66.22 -48.08 71.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.396 0.678 . . . . 71.12 110.474 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.08 -50.91 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.993 0.917 . . . . 71.43 110.331 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -70.12 -19.76 63.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.979 0.911 . . . . 74.14 112.015 -177.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.28 -33.97 61.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.974 0.51 . . . . 75.11 110.007 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -71.96 -39.93 69.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.752 0.421 . . . . 71.42 109.997 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 58' ' ' ALA . 85.8 mt -59.79 -33.35 71.61 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.284 0.564 . . . . 73.31 110.068 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -72.06 -45.72 59.67 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.042 0.937 . . . . 72.54 111.281 172.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -21.76 59.52 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.879 0.872 . . . . 72.15 112.579 -172.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -103.74 -24.06 13.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.368 0.667 . . . . 73.22 110.499 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.47 18.18 49.86 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.936 -0.575 . . . . 72.33 112.11 -173.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.69 2.67 80.53 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-O 119.355 -0.692 . . . . 64.3 113.957 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.84 65.42 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.564 0.682 . . . . 75.21 110.902 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.43 -34.45 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 123.72 0.637 . . . . 74.43 110.521 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 9.5 mm-40 -63.48 -39.37 94.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.21 0.604 . . . . 75.24 110.546 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.11 -48.04 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.949 0.9 . . . . 75.35 111.039 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.01 -47.86 79.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.055 0.942 . . . . 74.44 111.181 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.473 HG21 ' NE2' ' A' ' 76' ' ' GLN . 90.0 m -64.4 -48.68 74.49 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.379 1.072 . . . . 73.42 110.867 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -65.61 -46.32 79.79 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.872 0.469 . . . . 72.3 111.394 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 ' HA ' HG21 ' A' ' 77' ' ' THR . 47.9 mt -65.94 -36.67 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.301 0.64 . . . . 71.31 111.301 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.1 m -62.6 -38.82 91.67 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.331 0.652 . . . . 74.44 110.954 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.473 ' NE2' HG21 ' A' ' 72' ' ' THR . 47.8 mt-30 -75.27 -49.16 20.15 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.378 0.671 . . . . 74.35 111.72 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.417 HG21 ' HA ' ' A' ' 74' ' ' ILE . 10.6 t -71.27 116.08 11.17 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.452 0.644 . . . . 73.13 110.978 -171.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.43 -6.25 57.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.659 0.784 . . . . 74.42 110.483 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 124.093 0.957 . . . . 74.42 110.463 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 98.4 mtt180 -122.95 148.12 53.19 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.262 1.025 . . . . 75.54 109.907 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 35.9 Cg_exo -60.35 119.07 6.05 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.184 1.923 . . . . 71.51 111.108 172.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 8.5 tpt180 -114.3 165.39 12.75 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.615 1.166 . . . . 74.14 107.864 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.33 114.76 3.09 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 118.775 0.716 . . . . 72.42 110.694 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.5 -7.58 81.63 Favored Glycine 0 C--N 1.349 1.287 0 CA-C-N 115.876 -0.602 . . . . 75.34 113.567 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.506 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 50.6 tptt -118.5 104.86 11.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 75.15 109.935 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.92 152.59 21.16 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.266 0.626 . . . . 74.43 109.603 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.46 95.03 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.384 -0.969 . . . . 74.4 108.384 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.4 t -78.43 114.96 17.8 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.681 0.792 . . . . 73.11 110.016 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.6 mt -96.71 110.27 52.44 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 123.641 0.777 . . . . 74.32 109.413 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.24 113.7 3.77 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.273 1.982 . . . . 54.52 110.937 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.586 ' HB2' HG21 ' A' ' 29' ' ' ILE . 54.6 mt -93.1 111.53 23.19 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 108.226 -1.027 . . . . 71.22 108.226 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 26.1 t70 -77.41 97.02 4.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.228 -0.656 . . . . 64.23 109.228 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 107.833 -1.173 . . . . 64.42 107.833 163.034 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 108.895 -0.779 . . . . 72.1 108.895 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.92 68.18 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.302 0.376 . . . . 73.55 112.292 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.69 -58.24 8.19 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.521 1.128 . . . . 73.22 110.168 172.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -60.55 -36.64 78.94 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.572 0.545 . . . . 74.42 111.951 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.516 HD23 HG23 ' A' ' 20' ' ' VAL . 36.3 tp -68.27 -46.03 71.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.42 -0.809 . . . . 75.41 110.557 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.484 ' HB2' HD11 ' A' ' 54' ' ' LEU . 75.0 ttt180 -64.12 -42.04 97.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.166 0.586 . . . . 75.44 110.891 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -67.93 -26.58 66.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.01 0.924 . . . . 74.54 111.263 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.12 -37.94 78.63 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.616 0.766 . . . . 74.4 110.105 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 36.2 mt -74.92 -36.16 62.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.727 0.811 . . . . 74.02 110.408 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.71 -35.11 65.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.807 0.843 . . . . 74.04 111.541 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.46 -34.65 74.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.943 -0.571 . . . . 73.0 110.39 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -85.08 -66.82 0.85 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.049 -0.523 . . . . 64.5 111.469 -173.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -105.33 -16.89 14.63 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.257 0.623 . . . . 74.42 111.436 -170.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.96 69.5 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 116.247 -0.433 . . . . 71.13 113.876 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 97.0 m-85 -137.35 149.78 47.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.298 0.639 . . . . 75.03 109.559 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 m -88.76 90.97 8.63 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.343 -0.984 . . . . 74.44 108.343 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.8 m-85 -82.6 148.05 28.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.941 0.496 . . . . 73.44 111.285 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.87 110.49 9.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.519 -0.764 . . . . 71.11 109.35 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG23 HD23 ' A' ' 6' ' ' LEU . 30.1 m -102.68 129.8 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.495 -0.928 . . . . 74.44 108.495 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -143.33 143.57 31.73 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.203 0.601 . . . . 71.32 110.594 -174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.538 ' HB3' HD13 ' A' ' 29' ' ' ILE . 67.8 m-85 -74.3 146.81 42.86 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.525 0.73 . . . . 74.43 111.287 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -144.42 126.46 15.49 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.652 -0.87 . . . . 74.01 108.652 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -108.34 110.96 22.66 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.541 0.736 . . . . 74.12 109.188 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 t -137.26 137.65 39.25 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 123.091 0.557 . . . . 74.44 110.012 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 72.31 -13.0 0.66 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.651 1.581 . . . . 64.23 113.199 174.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.35 -12.43 7.52 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 123.094 0.378 . . . . 54.3 112.236 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -102.93 167.83 9.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.726 0.81 . . . . 71.22 111.984 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 22' ' ' PHE . 7.4 tp -116.97 132.26 67.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.183 0.993 . . . . 74.23 109.789 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -131.02 126.98 37.36 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.328 1.051 . . . . 73.41 108.992 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.4 tp -91.49 100.47 13.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.026 -0.731 . . . . 73.45 109.026 173.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -87.83 113.08 23.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.224 0.535 . . . . 74.14 110.858 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.5 t -72.76 103.91 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.568 -1.196 . . . . 75.11 108.64 169.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.81 150.69 47.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.294 0.638 . . . . 71.01 110.309 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -70.18 -17.41 63.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.591 1.156 . . . . 72.42 110.923 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.49 102.36 3.2 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.661 0.784 . . . . 75.13 109.701 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -97.11 164.02 12.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.233 0.613 . . . . 74.44 110.439 173.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.7 tp -62.41 -23.4 66.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.405 0.682 . . . . 75.24 112.538 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.38 -10.38 59.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.767 0.427 . . . . 75.24 112.111 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 43' ' ' PHE . 84.3 mm-40 -64.33 127.37 31.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.033 0.533 . . . . 74.04 109.792 173.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.38 71.76 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.246 0.618 . . . . 70.1 110.441 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 t -98.31 28.36 4.14 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.788 0.835 . . . . 74.34 110.799 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t80 -73.7 129.83 84.59 Favored Pre-proline 0 CA--C 1.554 1.12 0 N-CA-C 109.042 -0.725 . . . . 73.15 109.042 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.21 -13.67 40.4 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 123.308 2.672 . . . . 71.42 114.343 -171.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 70.9 mtm -123.85 157.86 33.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.597 0.759 . . . . 75.53 110.431 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -100.2 176.11 5.5 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.741 -0.837 . . . . 72.34 108.741 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.41 -43.91 75.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.251 1.02 . . . . 75.11 113.075 -170.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.5 m -63.64 -61.79 2.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.624 0.77 . . . . 65.15 111.338 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -66.67 -27.7 67.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.129 0.572 . . . . 74.24 111.747 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.61 -43.11 73.4 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.075 0.55 . . . . 73.53 110.817 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -66.77 -41.86 87.03 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.961 -0.755 . . . . 71.34 108.961 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.05 -25.66 62.74 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.072 -0.967 . . . . 71.11 111.264 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -66.51 -43.71 84.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.522 0.729 . . . . 70.31 109.976 171.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 7' ' ' ARG . 88.3 mt -63.38 -39.44 94.52 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.005 0.522 . . . . 75.42 110.185 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.05 -33.12 73.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.1 -0.955 . . . . 65.23 110.874 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -67.39 -41.69 84.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.693 0.797 . . . . 74.24 110.617 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.3 -50.89 64.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.661 -0.699 . . . . 74.32 110.348 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -26.29 68.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.362 1.065 . . . . 72.05 112.036 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.32 -48.25 78.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.011 0.924 . . . . 73.44 110.361 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -71.03 -33.7 70.59 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.008 0.523 . . . . 75.45 111.612 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.96 -39.37 91.89 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.162 0.506 . . . . 72.3 110.111 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -68.65 -39.86 80.5 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.983 -1.008 . . . . 74.22 110.848 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.38 59.12 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.701 0.8 . . . . 44.42 112.895 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.1 mt -108.36 -14.79 14.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.134 0.574 . . . . 75.41 111.931 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.92 11.44 73.51 Favored Glycine 0 C--N 1.348 1.248 0 N-CA-C 112.33 -0.308 . . . . 63.3 112.33 -172.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.15 -4.41 90.24 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-O 119.496 -0.613 . . . . 72.25 113.305 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.63 83.45 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.256 0.528 . . . . 61.4 110.962 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.52 -35.02 64.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 O-C-N 124.203 0.939 . . . . 61.23 110.022 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -64.5 -45.22 88.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.398 0.679 . . . . 74.24 111.491 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.26 -42.54 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 123.85 0.718 . . . . 75.24 110.918 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 9.6 mtpm? -59.78 -59.1 5.97 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.943 0.777 . . . . 75.54 110.732 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.8 m -60.67 -40.25 91.42 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.305 1.003 . . . . 74.33 111.332 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.74 -59.17 4.91 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.746 0.654 . . . . 74.22 110.329 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt -61.12 -36.91 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.769 0.828 . . . . 72.5 111.748 -176.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.0 m -72.78 -26.54 61.57 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.149 0.58 . . . . 74.51 111.865 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -95.91 -44.47 7.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.203 -0.311 . . . . 65.13 111.745 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.0 t -66.93 163.27 20.04 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.237 0.541 . . . . 62.33 111.216 -175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -126.48 16.83 7.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.874 0.87 . . . . 73.52 110.203 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.54 137.87 38.86 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.788 0.835 . . . . 74.54 110.859 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.65 133.53 22.2 Favored Pre-proline 0 N--CA 1.469 0.5 0 C-N-CA 124.232 1.013 . . . . 75.24 109.353 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.79 119.69 6.7 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.079 1.853 . . . . 65.13 110.277 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.49 170.12 9.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.177 0.991 . . . . 74.13 109.184 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.35 94.73 0.12 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.992 0.517 . . . . 74.24 110.839 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.47 -29.14 8.89 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 111.743 -0.543 . . . . 71.44 111.743 -175.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -92.4 110.55 21.96 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 64.51 110.448 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.8 136.16 43.13 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.059 0.544 . . . . 75.42 109.711 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 89.7 t -78.23 89.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.567 -0.901 . . . . 71.51 108.567 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -78.78 100.59 7.19 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.283 -0.871 . . . . 75.3 108.893 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.1 108.42 11.48 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 124.122 0.969 . . . . 75.44 109.212 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.03 115.43 4.27 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.162 1.908 . . . . 62.42 110.525 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.498 ' HB2' HG23 ' A' ' 29' ' ' ILE . 63.4 mt -78.61 92.29 4.7 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.601 -0.889 . . . . 73.53 108.601 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.43 99.8 0.44 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.128 -0.942 . . . . 74.44 109.402 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 CA--C 1.533 0.315 0 CA-C-N 115.314 -0.857 . . . . 73.53 109.099 -179.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 110.109 -0.33 . . . . 75.54 110.109 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.68 71.19 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 112.339 -0.304 . . . . 73.51 112.339 171.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.83 -57.38 12.89 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.998 0.919 . . . . 72.2 110.377 170.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.59 -36.73 79.24 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.745 0.818 . . . . 64.31 111.688 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.522 HD23 HG22 ' A' ' 20' ' ' VAL . 53.3 tp -60.36 -45.88 91.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.85 0.86 . . . . 75.32 110.18 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HB2' HD11 ' A' ' 54' ' ' LEU . 57.4 ttt180 -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.419 0.449 . . . . 75.42 110.362 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -65.03 -22.06 66.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.612 0.765 . . . . 74.42 112.006 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -74.47 -40.98 61.53 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.509 0.724 . . . . 62.41 109.585 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.8 mt -70.95 -32.39 69.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.824 0.849 . . . . 75.22 110.448 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.509 HD23 ' HG ' ' A' ' 17' ' ' SER . 92.8 mt -81.54 -34.99 30.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.142 0.977 . . . . 75.23 111.608 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.92 -40.37 75.59 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.892 0.477 . . . . 72.4 110.187 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.99 -63.73 1.35 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.16 -0.927 . . . . 74.43 111.649 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -104.76 -30.28 10.01 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.161 -0.472 . . . . 75.34 111.456 -171.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.13 21.12 46.93 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.35 -0.387 . . . . 74.31 113.308 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -133.0 138.59 46.88 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.801 0.84 . . . . 75.22 109.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.509 ' HG ' HD23 ' A' ' 11' ' ' LEU . 48.9 m -85.8 78.65 9.5 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.122 0.569 . . . . 73.32 109.795 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -75.13 149.77 38.96 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.229 0.612 . . . . 74.51 111.246 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 9.4 p-10 -84.63 131.18 34.63 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.096 -0.705 . . . . 71.23 109.096 169.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.522 HG22 HD23 ' A' ' 6' ' ' LEU . 19.9 m -105.44 131.24 55.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 108.809 -0.812 . . . . 71.34 108.809 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -131.16 141.41 50.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.109 0.563 . . . . 75.3 110.193 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.539 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.2 m-85 -73.12 153.69 40.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.296 0.638 . . . . 72.31 111.161 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -143.08 104.1 4.25 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.667 -1.234 . . . . 75.44 107.667 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -103.31 94.48 5.53 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.994 -1.484 . . . . 74.1 106.994 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -128.11 139.23 52.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.794 -1.094 . . . . 74.55 108.652 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 65.33 9.28 5.56 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.055 1.342 . . . . 72.02 111.809 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.82 67.04 Favored Glycine 0 C--N 1.353 1.523 0 C-N-CA 123.49 0.567 . . . . 71.02 112.82 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -100.21 139.43 35.89 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.306 0.642 . . . . 75.2 110.117 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.539 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -100.52 129.92 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.347 0.594 . . . . 74.11 109.596 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -128.51 130.63 47.74 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.651 1.18 . . . . 72.32 108.547 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.1 tp -91.53 99.59 12.5 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.011 -0.737 . . . . 75.31 109.011 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.81 106.57 18.46 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 122.964 0.505 . . . . 73.43 110.672 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 39.4 t -71.26 111.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.01 0.924 . . . . 75.42 108.889 173.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.2 mmt -67.59 161.24 26.1 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.238 0.542 . . . . 75.24 111.555 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.49 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.1 p90 -83.3 -10.24 58.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.658 -1.155 . . . . 74.04 110.875 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -89.17 142.04 27.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.206 0.602 . . . . 75.33 109.739 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -135.46 156.69 48.5 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.126 0.97 . . . . 64.32 109.537 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.55 -31.15 63.89 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.968 0.907 . . . . 74.21 112.761 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.71 -14.11 57.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.558 0.947 . . . . 71.11 113.558 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -75.28 140.25 43.03 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 110.062 -0.347 . . . . 55.35 110.062 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.11 -17.99 56.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.113 0.565 . . . . 71.33 110.446 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 t -77.32 -15.58 59.34 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.133 0.973 . . . . 63.41 111.224 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.43 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 5.5 t80 -67.27 124.79 89.88 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 124.123 0.969 . . . . 74.1 108.962 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -88.88 7.92 4.12 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.67 2.247 . . . . 73.41 113.377 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.1 mtp -113.82 132.15 55.98 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.1 0.96 . . . . 64.13 109.213 -173.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -74.2 176.39 6.66 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.741 0.816 . . . . 63.24 111.075 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -58.62 -67.37 0.37 Allowed 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 124.218 1.007 . . . . 74.02 112.635 -176.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 m -65.57 -34.74 78.96 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.0 0.92 . . . . 75.44 110.688 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.61 -33.5 75.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.607 0.763 . . . . 73.5 111.56 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.72 -41.14 96.19 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.887 0.475 . . . . 73.13 110.309 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -66.95 -36.05 81.35 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 109.591 -0.522 . . . . 72.42 109.591 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.11 -37.42 85.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.314 0.646 . . . . 72.53 111.437 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.33 -46.95 86.4 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.956 -0.565 . . . . 70.33 110.329 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' A' ' 7' ' ' ARG . 93.6 mt -62.73 -45.41 92.84 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.798 0.686 . . . . 72.21 111.25 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.62 -38.78 92.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.924 -1.035 . . . . 74.52 110.698 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.1 t -65.12 -47.45 77.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.84 0.713 . . . . 73.42 110.678 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.45 HG12 HG23 ' A' ' 20' ' ' VAL . 67.1 t -63.33 -51.85 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.466 -0.788 . . . . 72.23 111.001 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' HB1' HD22 ' A' ' 6' ' ' LEU . . . -65.63 -26.46 67.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.437 0.695 . . . . 75.12 112.337 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -65.94 -42.52 89.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.238 0.615 . . . . 75.11 109.649 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.12 -44.39 88.88 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.617 0.573 . . . . 74.33 111.26 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.6 mt -59.02 -39.17 81.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.376 0.671 . . . . 75.52 110.779 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.85 -31.73 57.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.659 0.783 . . . . 74.2 111.068 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.67 73.97 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.602 0.761 . . . . 74.11 111.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.2 mt -95.37 -23.31 17.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.953 0.901 . . . . 65.01 110.945 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.49 6.57 64.15 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 116.584 -0.28 . . . . 72.05 113.065 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.47 0.91 88.51 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 119.471 -0.627 . . . . 62.21 113.72 -178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.94 90.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 117.507 0.653 . . . . 72.4 111.637 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.04 -38.93 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.035 -0.984 . . . . 72.14 109.83 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -59.52 -40.47 87.23 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.572 0.749 . . . . 72.13 111.267 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' HA ' HG23 ' A' ' 89' ' ' ILE . 85.3 t -65.56 -50.65 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.737 0.815 . . . . 75.13 110.722 177.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -63.54 -33.29 75.27 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.481 0.712 . . . . 72.31 111.967 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -77.5 -44.53 28.47 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.595 0.758 . . . . 70.25 110.839 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CD2' HG12 ' A' ' 89' ' ' ILE . 59.9 t80 -65.45 -50.24 66.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.348 0.659 . . . . 73.53 110.861 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.01 -35.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.606 0.763 . . . . 74.13 111.294 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.2 m -68.7 -48.31 64.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.636 0.374 . . . . 74.33 111.09 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.21 -36.74 80.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.531 0.567 . . . . 75.14 112.531 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.4 t -75.38 158.48 32.68 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.937 0.399 . . . . 73.03 110.525 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -121.44 5.51 10.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.101 0.96 . . . . 60.42 109.124 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.5 147.74 47.46 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.875 0.87 . . . . 73.33 110.125 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 51.8 mtt180 -118.12 143.18 32.36 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-N 114.78 -1.1 . . . . 71.14 109.049 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.49 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 23.8 Cg_exo -62.74 116.73 3.72 Favored 'Trans proline' 0 C--N 1.372 1.802 0 C-N-CA 122.162 1.908 . . . . 70.41 110.501 173.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.577 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 20.1 tpt180 -118.36 160.93 20.8 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.137 0.975 . . . . 74.42 108.856 -171.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.8 tp -57.07 94.88 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.678 0.791 . . . . 73.41 111.627 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.76 -33.12 6.38 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.403 -0.817 . . . . 65.34 111.869 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 54.9 tttm -89.74 106.41 18.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.7 0.8 . . . . 74.31 110.739 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 152.05 25.03 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.639 -0.504 . . . . 65.45 109.639 169.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.9 t -85.87 89.39 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 107.609 -1.256 . . . . 72.34 107.609 171.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -80.73 106.32 12.65 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.507 -0.769 . . . . 71.34 109.462 -174.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.465 HG23 ' HA ' ' A' ' 70' ' ' VAL . 66.9 mt -92.32 109.3 37.1 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 124.563 1.145 . . . . 75.32 109.529 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.83 113.94 3.17 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 121.856 1.704 . . . . 74.02 110.214 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.503 ' HB2' HG22 ' A' ' 29' ' ' ILE . 79.0 mt -82.6 93.37 7.31 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.786 -0.82 . . . . 74.04 108.786 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -73.05 102.19 3.46 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.257 -1.016 . . . . 73.23 108.257 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 123.573 0.749 . . . . 74.32 109.989 177.821 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.243 0.731 0 N-CA-C 109.936 -0.394 . . . . 74.44 109.936 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.4 -26.41 71.75 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.421 0.451 . . . . 75.21 112.077 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.17 -53.44 30.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.406 1.083 . . . . 73.54 109.802 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -59.5 -43.53 93.33 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.921 0.889 . . . . 74.41 111.743 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG23 ' A' ' 20' ' ' VAL . 32.0 tp -67.36 -42.37 83.58 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.998 0.811 . . . . 65.41 110.343 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.429 ' HB2' HD12 ' A' ' 54' ' ' LEU . 42.8 ttt180 -58.6 -48.29 81.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.915 0.886 . . . . 75.41 110.342 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' NE2' HD11 ' A' ' 11' ' ' LEU . 24.7 mm-40 -67.54 -25.18 65.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.301 1.04 . . . . 75.24 111.812 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 tp -71.65 -42.45 67.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.885 0.474 . . . . 73.41 109.742 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 47.4 mt -69.37 -32.26 71.18 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.353 0.661 . . . . 72.31 110.939 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.417 HD11 ' NE2' ' A' ' 8' ' ' GLN . 95.8 mt -80.4 -41.28 24.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.919 0.888 . . . . 74.03 111.431 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.6 -35.71 75.54 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.398 0.679 . . . . 75.45 110.86 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.487 ' HZ2' ' HA ' ' A' ' 78' ' ' LYS . 55.9 tptt -83.08 -65.77 0.97 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.859 -0.61 . . . . 72.42 111.761 -176.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.493 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.7 m-90 -104.81 -19.25 13.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.421 0.526 . . . . 75.02 112.421 -170.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 14.02 64.06 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 114.635 0.614 . . . . 72.33 114.635 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -141.58 151.31 43.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.245 0.618 . . . . 64.03 110.009 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 p -89.03 79.22 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.179 0.992 . . . . 72.55 110.649 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -77.15 151.74 35.17 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.368 0.507 . . . . 71.33 112.368 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.26 145.66 47.76 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.439 -0.949 . . . . 73.54 108.439 168.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 6' ' ' LEU . 7.3 m -133.1 126.29 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.481 0.712 . . . . 72.52 109.143 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.13 140.33 51.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.247 0.619 . . . . 71.32 110.412 -175.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HB3' HD12 ' A' ' 29' ' ' ILE . 68.4 m-85 -74.95 149.2 39.45 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.763 0.825 . . . . 74.42 110.538 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -142.02 113.36 7.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.273 0.629 . . . . 71.41 109.556 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -101.94 105.3 16.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.85 0.86 . . . . 73.22 110.012 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 t -143.82 136.06 26.76 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.446 0.698 . . . . 75.4 109.77 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 63.01 26.18 15.37 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.201 1.4 . . . . 75.12 111.683 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.31 88.97 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 115.657 -0.701 . . . . 74.22 113.289 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -99.99 169.33 9.27 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.259 1.024 . . . . 72.14 109.554 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' A' ' 91' ' ' LEU . 6.3 tp -130.87 131.3 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 115.35 -0.841 . . . . 75.43 109.245 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -127.95 127.19 42.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.591 1.156 . . . . 71.3 108.892 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.72 97.94 11.32 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.379 -0.971 . . . . 74.25 108.379 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -86.2 107.49 17.92 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.6 0.76 . . . . 71.11 110.168 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.402 HG23 HG12 ' A' ' 20' ' ' VAL . 28.8 t -77.47 112.79 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.16 -0.927 . . . . 74.53 109.073 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -67.58 155.37 39.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.423 1.089 . . . . 74.45 111.748 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -76.0 -17.1 59.83 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.034 1.333 . . . . 73.41 111.253 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.7 135.52 34.54 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.397 0.679 . . . . 75.23 110.111 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.87 156.6 45.8 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.4 1.08 . . . . 75.1 109.649 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.71 -21.36 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.012 0.925 . . . . 72.02 112.191 -171.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.99 -14.28 62.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.163 0.585 . . . . 74.4 112.107 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -81.3 131.75 35.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.82 0.848 . . . . 71.34 108.955 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.91 66.67 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.265 0.626 . . . . 72.31 111.271 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -93.39 19.67 8.04 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.059 0.943 . . . . 75.5 111.677 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -73.89 129.94 84.05 Favored Pre-proline 0 CA--C 1.558 1.271 0 N-CA-C 108.815 -0.809 . . . . 73.14 108.815 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.1 -34.74 68.41 Favored 'Trans proline' 0 C--N 1.385 2.46 0 C-N-CA 123.055 2.503 . . . . 75.1 113.733 -170.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.6 mtm -101.0 143.43 31.15 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.563 0.745 . . . . 74.51 109.689 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -77.39 174.42 10.84 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.944 -0.391 . . . . 74.44 109.944 172.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.39 -40.82 79.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.357 0.663 . . . . 75.32 112.457 -173.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.9 m -64.92 -51.59 61.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.345 0.658 . . . . 65.21 110.208 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.95 -39.57 92.57 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.167 0.987 . . . . 63.13 111.778 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.38 -40.37 81.4 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.144 0.902 . . . . 73.41 110.912 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -67.66 -41.54 83.62 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.092 -0.707 . . . . 73.02 109.092 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.94 -34.71 78.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.941 0.896 . . . . 62.41 110.732 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.54 -42.75 82.2 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.715 0.806 . . . . 64.21 110.006 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 7' ' ' ARG . 82.9 mt -59.86 -44.13 94.3 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.919 0.762 . . . . 74.44 110.302 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.74 -31.57 66.82 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.285 0.991 . . . . 71.01 110.752 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -70.58 -43.33 69.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.624 0.77 . . . . 73.21 110.738 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.2 t -63.12 -50.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 C-N-CA 123.747 0.819 . . . . 65.25 109.886 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.64 -20.86 63.59 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.359 1.064 . . . . 75.02 111.948 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -67.1 -44.29 80.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.682 0.793 . . . . 73.24 109.708 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -70.73 -36.21 73.08 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.693 -0.685 . . . . 75.5 111.141 176.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -38.31 87.54 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.764 -0.458 . . . . 75.35 109.764 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.6 -54.13 32.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.486 0.714 . . . . 72.24 110.499 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.5 99.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.075 0.95 . . . . 70.54 112.13 -170.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 93' ' ' LEU . 79.3 mt -85.27 -22.96 28.38 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.551 0.74 . . . . 70.25 111.773 -175.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.48 13.67 61.12 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.879 -0.488 . . . . 75.03 111.879 -171.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.13 -9.62 86.88 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-O 119.361 -0.688 . . . . 74.43 113.527 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.7 95.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.732 0.813 . . . . 75.32 110.652 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.04 -36.94 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 O-C-N 124.337 1.023 . . . . 74.32 110.269 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.37 0.668 . . . . 74.15 111.338 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 66' ' ' GLY . 90.2 t -66.03 -48.86 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.561 0.744 . . . . 75.12 110.217 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -58.29 -52.64 64.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.003 0.921 . . . . 75.22 111.584 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.1 m -61.42 -44.1 97.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.904 0.882 . . . . 63.32 111.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -66.5 -49.5 66.35 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.576 0.548 . . . . 74.31 110.415 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.84 -30.33 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.082 0.953 . . . . 75.04 111.143 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.2 m -67.42 -45.35 76.38 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 109.861 -0.422 . . . . 73.5 109.861 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.57 -63.72 1.02 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.042 0.537 . . . . 74.1 111.581 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 t -68.23 135.31 51.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.109 0.564 . . . . 72.23 110.197 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.487 ' HA ' ' HZ2' ' A' ' 13' ' ' LYS . 96.5 mttt -114.47 19.84 15.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.994 0.918 . . . . 72.4 109.563 174.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.22 134.15 42.7 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.88 -1.055 . . . . 74.2 109.99 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.493 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 74.9 mtt-85 -101.35 141.19 22.11 Favored Pre-proline 0 C--O 1.241 0.634 0 CA-C-N 115.232 -0.894 . . . . 75.13 109.964 -177.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.55 117.95 4.64 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.825 2.35 . . . . 72.45 111.368 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -112.01 152.69 27.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 74.04 109.793 -168.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.69 116.0 3.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.914 0.486 . . . . 75.33 110.136 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 -33.0 5.43 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.93 -0.577 . . . . 61.01 112.698 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.63 113.89 26.25 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.64 0.776 . . . . 75.23 111.348 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.23 152.7 22.09 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 71.34 110.922 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.1 t -81.42 91.57 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.49 -0.929 . . . . 73.32 108.49 172.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -78.09 103.11 7.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.219 -0.9 . . . . 74.22 109.19 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 71.7 mt -88.19 107.78 18.22 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.051 0.94 . . . . 75.02 109.984 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.06 113.37 3.4 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.093 1.862 . . . . 72.4 110.476 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HB2' HG21 ' A' ' 29' ' ' ILE . 54.0 mt -87.15 99.93 12.29 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.227 -1.027 . . . . 74.41 108.227 177.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.85 86.92 2.83 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.561 -0.745 . . . . 75.02 109.35 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 64' ' ' LEU . 62.3 mt . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 123.773 0.829 . . . . 74.03 109.002 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 109.425 -0.583 . . . . 72.43 109.425 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.75 -21.08 62.65 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 120.034 -0.315 . . . . 71.32 112.449 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.1 -55.91 10.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.354 1.061 . . . . 75.2 110.088 172.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.72 -40.66 97.9 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.483 1.115 . . . . 71.44 111.351 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.521 HD23 HG22 ' A' ' 20' ' ' VAL . 32.0 tp -67.89 -43.38 79.43 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.08 0.863 . . . . 63.45 110.816 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -58.75 -52.49 65.46 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.301 0.64 . . . . 74.43 110.332 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.65 -19.68 63.61 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 114.594 -1.184 . . . . 73.54 112.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 71' ' ' LYS . 24.2 tp -73.33 -24.0 60.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.356 0.525 . . . . 73.43 110.458 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.8 mt -90.45 -35.43 15.14 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.857 0.863 . . . . 74.23 109.988 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.87 -61.03 2.02 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.758 0.823 . . . . 75.24 111.307 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -45.46 -43.68 11.68 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.237 1.015 . . . . 71.52 112.376 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -75.97 -63.12 1.38 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.95 0.9 . . . . 73.11 112.229 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 6.6 m0 -107.44 -23.09 12.32 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 112.661 0.615 . . . . 75.05 112.661 -167.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.89 -3.68 57.35 Favored Glycine 0 N--CA 1.473 1.149 0 N-CA-C 114.105 0.402 . . . . 43.33 114.105 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -127.17 149.07 50.14 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.019 0.527 . . . . 65.52 110.537 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -85.97 67.33 9.97 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.392 1.077 . . . . 72.02 110.35 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.54 152.31 45.5 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.264 -0.426 . . . . 74.13 111.177 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.84 136.38 33.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.692 -0.855 . . . . 74.21 108.692 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.521 HG22 HD23 ' A' ' 6' ' ' LEU . 30.4 m -105.52 139.62 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.699 -0.852 . . . . 74.41 108.699 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -132.7 136.44 46.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.673 0.389 . . . . 73.42 110.836 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.3 119.07 13.01 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.825 0.85 . . . . 75.3 110.192 174.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -103.41 104.24 14.31 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.123 0.969 . . . . 75.33 108.567 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -101.37 103.82 14.78 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.872 -1.158 . . . . 73.33 107.872 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -145.87 132.94 20.33 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.08 0.552 . . . . 74.41 110.889 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 60.07 33.71 21.27 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.042 1.337 . . . . 73.11 112.28 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.87 7.54 86.35 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.76 -0.655 . . . . 75.45 113.367 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -113.68 158.37 20.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.234 1.014 . . . . 71.43 109.866 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 tp -126.75 130.01 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.478 0.711 . . . . 71.52 110.215 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.69 125.26 29.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 75.41 107.908 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -89.07 97.81 11.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.053 -1.091 . . . . 71.15 108.053 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -86.52 106.71 17.71 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.214 -0.448 . . . . 74.02 109.875 -176.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.451 HG22 HG13 ' A' ' 20' ' ' VAL . 37.0 t -66.81 104.92 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.801 0 N-CA-C 107.895 -1.15 . . . . 54.32 107.895 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mmm -69.5 161.3 29.78 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.481 0.658 . . . . 73.24 111.462 -174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -78.69 4.7 12.95 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.504 -1.226 . . . . 74.21 113.022 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.649 ' HZ2' ' HB2' ' A' ' 36' ' ' LYS . 7.5 mtmp? -110.96 150.49 29.16 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.211 1.004 . . . . 75.43 109.32 -177.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.402 ' CD1' ' HB2' ' A' ' 39' ' ' GLU . 6.7 p90 -137.29 162.25 34.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.244 0.617 . . . . 72.05 110.394 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.83 -21.62 65.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.618 0.767 . . . . 70.11 111.459 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 5.6 mm-40 -64.68 -18.6 65.13 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.236 0.615 . . . . 55.24 111.164 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -70.06 126.41 29.6 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.159 0.584 . . . . 65.25 109.926 171.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.36 -23.93 61.99 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.942 0.497 . . . . 65.42 110.467 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -79.0 2.66 19.67 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.131 0.972 . . . . 63.33 111.983 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.76 119.5 74.58 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.518 0.727 . . . . 63.25 109.259 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.93 0.71 9.77 Favored 'Trans proline' 0 C--N 1.384 2.408 0 C-N-CA 122.923 2.415 . . . . 75.52 113.502 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtp -106.74 135.66 47.9 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.21 1.004 . . . . 70.22 108.894 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -70.1 171.67 9.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.984 0.513 . . . . 73.44 110.163 174.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.1 -40.02 96.41 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.112 0.565 . . . . 74.35 110.843 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -63.76 -44.81 92.34 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 123.708 0.63 . . . . 72.42 109.779 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.98 -39.07 88.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.361 0.665 . . . . 71.23 111.007 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CZ ' HD13 ' A' ' 54' ' ' LEU . 53.3 t80 -63.22 -49.86 72.53 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.254 0.971 . . . . 74.21 110.789 177.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.81 -39.34 83.99 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.602 0.564 . . . . 75.32 111.279 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -73.57 -24.3 60.07 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.143 0.577 . . . . 75.4 111.042 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -67.51 -46.69 72.16 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.549 -0.908 . . . . 72.21 108.549 173.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.459 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 82.8 mt -64.46 -37.05 86.18 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.999 0.812 . . . . 74.32 111.256 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.08 -40.47 78.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 123.769 0.668 . . . . 74.13 109.531 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 t -71.08 -37.23 72.45 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.375 -0.829 . . . . 74.12 111.127 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.419 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 41.0 t -63.59 -51.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 C-N-CA 123.31 0.644 . . . . 74.54 109.354 175.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.03 -28.33 69.51 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.247 1.019 . . . . 65.12 111.967 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.44 -47.56 69.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.645 0.778 . . . . 70.15 109.699 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.49 -40.03 96.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.08 0.552 . . . . 74.15 110.964 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 96.2 mt -62.96 -32.85 74.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.332 0.653 . . . . 74.13 110.82 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -71.85 -41.61 67.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.607 0.763 . . . . 75.03 110.773 173.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.54 74.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.589 0.756 . . . . 65.32 111.818 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.43 -24.94 17.12 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.703 0.801 . . . . 70.43 111.21 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.92 20.48 50.03 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 116.143 -0.48 . . . . 55.51 112.735 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -94.84 3.01 67.19 Favored Glycine 0 C--N 1.347 1.161 0 CA-C-O 119.553 -0.582 . . . . 63.44 113.547 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.59 43.79 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 117.407 0.604 . . . . 62.12 111.697 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -65.61 -28.3 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-N 115.726 -0.67 . . . . 74.13 109.959 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -62.99 -44.95 94.62 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.237 0.615 . . . . 64.24 111.12 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.557 ' HA ' HG22 ' A' ' 89' ' ' ILE . 94.4 t -63.71 -49.89 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.568 0.747 . . . . 71.41 110.731 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HA ' HD21 ' A' ' 9' ' ' LEU . 49.5 mtpt -62.53 -45.69 91.81 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 123.763 0.664 . . . . 74.53 111.522 -176.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.474 HG23 ' NE2' ' A' ' 76' ' ' GLN . 94.5 m -64.43 -44.67 90.44 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.877 0.736 . . . . 74.13 110.877 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -61.93 -47.43 84.92 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.574 0.546 . . . . 74.55 110.543 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -67.01 -29.22 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.684 0.794 . . . . 73.52 111.229 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.5 m -67.63 -39.04 84.66 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.671 0.272 . . . . 73.24 110.53 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.474 ' NE2' HG23 ' A' ' 72' ' ' THR . 46.7 mt-30 -77.98 -63.22 1.44 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 72.1 111.167 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 t -62.35 137.34 58.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.337 0.655 . . . . 74.03 110.267 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -113.14 14.5 19.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.488 0.715 . . . . 74.42 109.835 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.48 149.1 40.47 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.483 1.113 . . . . 73.11 110.18 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 83.7 mtt180 -116.28 145.51 35.22 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 123.7 0.8 . . . . 75.41 111.449 -177.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.01 122.26 9.13 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.176 2.584 . . . . 75.13 110.959 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -139.18 148.61 43.39 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.993 -1.114 . . . . 74.22 107.993 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.3 tp -47.19 118.42 2.13 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 124.077 0.951 . . . . 73.23 113.308 -168.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.69 -13.34 67.7 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.303 0.478 . . . . 71.32 113.928 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -126.31 104.72 8.35 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.234 1.413 . . . . 75.21 110.436 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.99 143.28 28.0 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.488 0.715 . . . . 74.41 110.872 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.82 90.87 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.574 -0.899 . . . . 61.11 108.574 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.8 t -79.29 107.89 12.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.079 -0.964 . . . . 74.23 109.601 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 70' ' ' VAL . 73.9 mt -90.31 107.48 20.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.56 0.744 . . . . 74.33 110.127 -177.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.82 115.0 3.54 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.457 2.105 . . . . 73.14 110.68 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.22 107.33 18.44 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.996 -0.742 . . . . 73.25 108.996 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 95.78 1.66 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.162 -1.051 . . . . 72.52 108.162 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 108.23 -1.026 . . . . 72.41 108.23 168.287 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 109.0 -0.741 . . . . 75.24 109.0 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.53 -27.59 71.12 Favored Glycine 0 C--N 1.345 1.036 0 C-N-CA 121.713 -0.279 . . . . 64.04 112.631 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 35.2 tt0 -64.07 -51.66 63.0 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.543 0.737 . . . . 75.43 109.842 171.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -65.06 -33.54 76.28 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.592 0.757 . . . . 62.32 112.011 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.481 HD22 HG22 ' A' ' 20' ' ' VAL . 59.7 tp -64.18 -42.26 96.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 109.615 -0.513 . . . . 75.31 109.615 174.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.534 ' HB2' HD13 ' A' ' 54' ' ' LEU . 72.2 ttt180 -65.55 -40.57 93.01 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.241 0.616 . . . . 74.32 110.724 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 14.8 mm100 -64.48 -34.42 78.17 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.018 0.527 . . . . 75.33 110.221 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.86 -34.03 77.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.026 0.93 . . . . 74.33 110.49 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.1 mt -77.91 -34.89 51.19 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.848 0.859 . . . . 73.32 110.066 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -27.35 60.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.124 0.97 . . . . 63.24 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.8 -39.95 25.84 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.909 0.484 . . . . 75.33 110.5 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -77.88 -55.24 5.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.853 -0.612 . . . . 73.54 111.474 -173.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.419 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -114.06 -15.75 12.23 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 74.14 112.035 -171.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.73 18.57 75.11 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 123.368 0.418 . . . . 70.33 113.33 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.61 142.93 29.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.97 0.908 . . . . 71.54 109.105 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -88.94 102.13 14.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.658 0.783 . . . . 64.41 109.834 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.52 148.08 23.61 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.622 0.769 . . . . 72.22 111.511 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -61.71 146.25 49.82 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.287 -0.869 . . . . 70.54 109.224 165.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 HG22 ' A' ' 57' ' ' VAL . 15.3 m -138.7 127.32 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 108.741 -0.837 . . . . 61.32 108.741 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -119.1 149.68 41.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.118 0.567 . . . . 75.24 110.934 -175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HB3' HD13 ' A' ' 29' ' ' ILE . 56.5 m-85 -91.78 148.48 22.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 74.51 110.379 171.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -141.38 128.51 20.87 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.204 -0.665 . . . . 73.1 109.204 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -111.46 101.5 9.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.818 0.847 . . . . 73.41 109.499 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -145.44 141.28 28.24 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.28 0.632 . . . . 73.22 109.979 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 68.36 21.1 8.45 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.956 1.303 . . . . 73.33 110.811 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.29 -3.43 84.69 Favored Glycine 0 C--N 1.36 1.899 0 CA-C-N 115.728 -0.669 . . . . 63.05 113.345 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -103.2 160.91 14.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.154 0.982 . . . . 72.45 111.183 -172.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.545 HD13 ' HB3' ' A' ' 22' ' ' PHE . 8.9 tp -119.03 129.73 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.946 0.898 . . . . 72.22 109.455 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -125.49 121.77 34.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.31 1.044 . . . . 72.24 109.447 -175.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.3 tp -91.17 96.63 10.68 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.73 -0.841 . . . . 72.03 108.73 170.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -88.38 107.56 18.91 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.837 0.855 . . . . 74.22 110.401 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.558 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 58.3 t -68.44 115.5 6.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.518 0.727 . . . . 72.35 109.372 174.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.452 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 21.2 mmt -77.16 150.92 35.49 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.276 1.03 . . . . 75.23 111.806 -177.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.438 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 20.0 p90 -67.15 -21.07 65.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.562 1.545 . . . . 75.4 111.597 172.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.3 116.31 10.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.396 0.678 . . . . 72.22 110.176 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -106.37 157.13 17.84 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.961 0.905 . . . . 74.43 108.838 169.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.29 -25.65 65.9 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.125 0.891 . . . . 71.15 112.857 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -77.95 13.71 1.32 Allowed 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.063 0.764 . . . . 75.2 113.063 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -103.23 142.05 34.84 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.591 0.756 . . . . 75.22 110.231 168.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -16.22 59.57 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.986 0.915 . . . . 71.23 110.87 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 m -83.59 0.84 45.0 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.858 0.863 . . . . 72.02 112.102 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -62.93 130.79 94.3 Favored Pre-proline 0 CA--C 1.559 1.319 0 C-N-CA 123.508 0.723 . . . . 71.32 110.429 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.59 -11.28 30.72 Favored 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 123.279 2.653 . . . . 71.43 113.755 -169.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.458 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 57.8 mtm -126.35 166.51 17.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.168 0.987 . . . . 75.23 110.062 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.52 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 90.9 m-20 -79.6 176.3 9.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.336 -0.847 . . . . 73.43 109.411 168.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.28 -40.59 86.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.371 0.668 . . . . 73.1 111.626 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -63.4 -50.75 68.62 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.537 -0.756 . . . . 73.13 109.702 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.5 mm-40 -65.36 -28.02 68.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.582 0.753 . . . . 71.23 111.667 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.413 ' CZ ' HD12 ' A' ' 54' ' ' LEU . 21.4 t80 -68.57 -49.29 60.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.498 0.719 . . . . 74.0 110.446 174.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -70.7 -30.57 67.17 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.163 -0.471 . . . . 75.41 109.963 -175.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.2 -39.44 78.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.433 0.693 . . . . 71.34 110.653 171.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -62.84 -34.16 76.75 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.013 0.925 . . . . 75.34 111.051 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' A' ' 7' ' ' ARG . 97.6 mt -69.93 -39.35 76.18 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.364 0.666 . . . . 71.11 110.536 178.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.26 -30.36 63.4 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.482 -0.781 . . . . 74.11 109.994 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -64.39 -44.16 92.18 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.437 1.095 . . . . 71.34 110.635 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG22 HG23 ' A' ' 20' ' ' VAL . 40.4 t -67.8 -46.93 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 115.531 -0.759 . . . . 75.32 110.58 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -26.19 68.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.97 0.908 . . . . 72.14 111.655 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -65.25 -45.65 83.72 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.104 0.961 . . . . 73.41 110.091 173.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -68.25 -31.98 71.84 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.066 -0.516 . . . . 72.41 111.575 174.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.18 -30.3 70.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 122.672 0.389 . . . . 72.24 111.014 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -79.51 -42.24 25.65 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.393 0.277 . . . . 74.03 110.404 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.6 95.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.874 0.87 . . . . 43.35 111.867 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -87.1 -21.78 25.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.972 -1.013 . . . . 73.0 111.124 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.7 16.13 73.87 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.827 -0.509 . . . . 72.13 111.827 -169.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.73 -3.44 89.08 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 119.118 -0.823 . . . . 73.4 114.016 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.15 87.66 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 117.573 0.686 . . . . 72.14 111.136 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.79 -33.17 61.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 114.907 -1.042 . . . . 74.42 110.046 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -70.05 -35.13 74.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.248 0.619 . . . . 73.43 111.137 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.521 ' HA ' HG22 ' A' ' 89' ' ' ILE . 77.8 t -68.72 -47.96 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.457 0.703 . . . . 72.2 110.245 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 9.1 mtpm? -61.2 -44.6 97.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.659 0.784 . . . . 74.31 111.602 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.5 m -69.22 -41.82 76.54 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.345 0.658 . . . . 75.11 111.195 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.39 -50.52 67.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.162 -0.472 . . . . 73.45 109.851 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.43 ' HA ' HG21 ' A' ' 77' ' ' THR . 12.4 mt -63.24 -35.45 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.909 0.884 . . . . 74.24 111.673 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.8 m -60.96 -53.45 57.06 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.168 0.508 . . . . 74.01 110.748 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.53 -32.3 42.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.279 -0.873 . . . . 65.5 112.52 -170.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 74' ' ' ILE . 9.3 t -70.44 145.71 50.82 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.813 -0.439 . . . . 73.3 109.813 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -108.92 0.18 20.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.807 0.843 . . . . 74.1 109.623 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.46 152.4 36.17 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.776 0.83 . . . . 74.34 112.667 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 97.2 mtt180 -123.0 148.94 55.6 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-N 114.184 -1.371 . . . . 71.21 109.583 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.438 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 37.1 Cg_endo -64.37 122.73 10.76 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.611 2.207 . . . . 72.04 110.332 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 85' ' ' LYS . 43.3 ttm180 -128.16 146.65 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.421 -1.263 . . . . 75.24 107.789 -166.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.98 89.57 0.08 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.566 0.746 . . . . 75.41 110.497 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.32 -19.86 9.81 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 115.681 -0.69 . . . . 74.22 112.822 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.45 ' HD3' HH11 ' A' ' 82' ' ' ARG . 65.3 tttm -122.59 102.45 8.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.486 0.714 . . . . 75.3 110.033 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.88 147.02 29.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.86 0.864 . . . . 52.23 110.387 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.558 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 59.5 t -77.74 89.59 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.021 -1.103 . . . . 61.4 108.021 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -77.49 111.93 13.73 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.917 -0.772 . . . . 73.41 108.917 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' A' ' 70' ' ' VAL . 50.9 mt -101.83 100.28 14.21 Favored Pre-proline 0 CA--C 1.547 0.834 0 N-CA-C 108.746 -0.835 . . . . 73.43 108.746 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.98 113.26 3.35 Favored 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 122.013 1.809 . . . . 71.22 110.028 176.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.534 ' HB2' HG22 ' A' ' 29' ' ' ILE . 42.1 mt -77.84 95.3 4.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.398 -1.334 . . . . 62.43 107.398 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.45 102.15 0.39 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.045 -0.724 . . . . 75.54 109.045 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.7 mt . . . . . 0 N--CA 1.472 0.647 0 C-N-CA 124.285 1.034 . . . . 72.21 108.297 175.062 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.244 0.785 0 N-CA-C 109.215 -0.661 . . . . 74.32 109.215 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.87 64.74 Favored Glycine 0 C--N 1.345 1.032 0 O-C-N 123.485 0.491 . . . . 54.43 112.663 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.51 -57.02 14.52 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.019 0.928 . . . . 74.53 109.772 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.67 -37.9 87.8 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.817 0.847 . . . . 75.43 111.793 -175.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 20' ' ' VAL . 41.8 tp -65.78 -43.61 88.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.129 0.572 . . . . 74.42 110.438 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -61.82 -48.14 81.91 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 74.13 110.308 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.95 -20.67 65.93 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 114.927 -1.033 . . . . 75.21 111.726 -176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -72.67 -41.27 65.58 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.464 0.706 . . . . 64.42 110.251 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.88 -31.29 66.28 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.106 -0.952 . . . . 75.14 110.1 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.7 mt -78.4 -32.78 48.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.113 0.965 . . . . 71.21 111.413 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.39 -43.65 85.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.711 0.804 . . . . 71.05 110.189 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -89.09 -61.57 1.67 Allowed 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.14 -0.937 . . . . 74.3 110.93 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.437 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.2 m0 -98.51 -29.06 13.31 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.067 -0.515 . . . . 73.21 112.068 -170.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.46 19.69 61.66 Favored Glycine 0 N--CA 1.473 1.155 0 O-C-N 123.195 0.309 . . . . 52.11 113.762 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.22 139.13 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.578 -0.897 . . . . 73.54 108.578 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -84.74 74.81 10.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.662 -0.496 . . . . 71.53 109.662 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -71.08 155.19 41.08 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.767 0.427 . . . . 74.52 110.819 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -98.58 144.4 27.93 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.485 -0.561 . . . . 75.31 109.485 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.461 HG21 HG22 ' A' ' 57' ' ' VAL . 29.4 m -121.11 151.34 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.436 0.694 . . . . 75.22 110.098 -174.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -142.07 141.78 32.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.799 0.44 . . . . 73.33 111.465 -176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' HE2' ' HA ' ' A' ' 57' ' ' VAL . 72.8 m-85 -81.52 130.22 34.97 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.92 0.488 . . . . 75.13 110.153 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -124.96 129.82 51.11 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.783 -0.821 . . . . 64.4 108.783 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -113.75 106.93 15.08 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.552 0.741 . . . . 74.12 109.212 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -144.72 138.54 27.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.87 0.868 . . . . 73.43 109.318 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 64.6 20.76 12.25 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.868 1.267 . . . . 75.42 112.756 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.37 9.33 85.88 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 116.927 -0.124 . . . . 64.22 113.08 -174.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -103.51 168.54 9.09 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.242 1.017 . . . . 71.34 109.451 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.525 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.6 tp -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-O 121.562 0.696 . . . . 73.2 109.699 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -128.04 121.15 29.0 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.252 1.021 . . . . 73.45 109.38 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -90.45 98.02 11.53 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.118 -1.067 . . . . 75.1 108.118 173.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -85.01 109.79 18.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.4 0.68 . . . . 75.52 110.323 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 21.6 t -73.52 109.26 5.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.531 -0.915 . . . . 75.02 108.531 169.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.7 mmt -66.08 155.93 35.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.71 0.804 . . . . 75.11 111.206 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 29.4 p90 -77.53 -7.14 55.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.313 1.045 . . . . 70.55 111.354 176.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -90.37 139.81 30.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.385 0.674 . . . . 72.2 109.986 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -131.67 155.83 46.92 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.508 1.123 . . . . 74.24 109.5 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.68 -25.78 65.02 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.987 0.915 . . . . 75.43 113.226 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.46 -15.98 63.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 122.923 0.489 . . . . 71.54 112.016 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.94 144.98 54.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.424 0.689 . . . . 62.51 111.24 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.13 -16.88 39.01 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.31 1.044 . . . . 73.51 110.68 174.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -94.36 5.36 52.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.158 0.983 . . . . 72.52 111.393 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.54 123.71 85.27 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 123.342 0.657 . . . . 73.31 110.23 -175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -76.18 5.21 4.72 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 123.114 2.543 . . . . 72.22 115.013 -166.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtm -129.42 152.03 49.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.673 0.789 . . . . 73.42 109.524 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.536 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 80.6 m-20 -71.82 166.17 22.59 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.839 -0.8 . . . . 73.4 108.839 168.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.836 0.454 . . . . 64.21 111.034 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.0 m -63.48 -46.52 85.78 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.192 0.597 . . . . 75.2 110.377 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 26.3 mm-40 -63.05 -38.89 93.0 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.156 0.582 . . . . 72.14 110.986 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.466 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 27.0 t80 -62.53 -50.81 69.88 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.823 -1.081 . . . . 74.32 110.942 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -69.61 -37.89 77.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.943 0.897 . . . . 65.2 111.245 -173.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -69.85 -31.02 68.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.29 0.636 . . . . 62.22 111.165 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.63 -37.92 80.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.388 -0.369 . . . . 74.44 110.275 175.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 83.5 mt -63.22 -41.51 99.14 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.538 0.524 . . . . 74.5 110.718 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.08 -31.96 64.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.467 -0.788 . . . . 73.01 110.568 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 t -68.53 -37.3 79.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.798 0.839 . . . . 75.23 110.931 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.477 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 38.2 t -66.65 -49.17 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.657 -0.702 . . . . 75.44 109.589 174.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.43 69.29 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.419 1.088 . . . . 73.32 111.803 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -68.63 -42.19 78.38 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.882 0.873 . . . . 74.21 109.871 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.64 -36.48 78.66 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.626 0.37 . . . . 73.35 111.361 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.15 -21.79 66.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.275 0.63 . . . . 64.41 111.704 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -75.9 -54.18 7.28 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.132 0.973 . . . . 74.32 110.077 173.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.49 70.36 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.731 0.812 . . . . 74.01 111.644 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.517 ' HB3' HD13 ' A' ' 93' ' ' LEU . 85.4 mt -70.55 -29.11 65.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.209 1.004 . . . . 73.43 111.308 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.44 32.24 31.54 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.805 -0.634 . . . . 72.12 112.693 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -101.73 1.27 52.44 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 119.181 -0.788 . . . . 54.05 113.882 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.94 86.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.578 0.689 . . . . 74.21 112.305 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.11 -36.51 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.281 -0.872 . . . . 73.22 110.005 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 13.5 mm-40 -64.36 -38.67 91.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.433 0.693 . . . . 74.54 111.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' GLY . 98.1 t -68.35 -47.92 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.673 0.789 . . . . 63.13 110.256 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.7 -36.33 83.51 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.198 -0.91 . . . . 74.51 111.543 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -69.52 -47.91 62.21 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.29 0.636 . . . . 74.44 110.143 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.9 -58.18 7.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.923 0.489 . . . . 74.24 110.884 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.13 -47.66 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.872 0.869 . . . . 74.11 111.635 -173.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.7 m -64.73 -30.63 71.65 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.71 0.404 . . . . 74.12 111.675 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -99.82 -12.7 19.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.408 0.892 . . . . 72.03 113.408 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -87.81 146.1 25.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.679 0.672 . . . . 71.43 110.789 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -105.52 7.09 32.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.465 0.706 . . . . 75.21 110.221 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.29 142.26 37.91 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.537 0.735 . . . . 74.11 110.177 174.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.437 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 52.2 mtt180 -119.26 147.08 42.24 Favored Pre-proline 0 N--CA 1.472 0.645 0 C-N-CA 123.681 0.792 . . . . 74.11 109.873 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 24.1 Cg_exo -63.38 120.08 7.39 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.311 2.008 . . . . 71.13 110.934 171.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -126.72 159.35 33.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.625 0.77 . . . . 74.51 109.435 -175.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.8 tp -56.65 110.16 0.74 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.641 0.776 . . . . 63.14 111.61 -174.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.26 -30.06 10.65 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 123.58 0.55 . . . . 74.45 112.636 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -109.09 105.21 14.59 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.803 0.841 . . . . 73.14 110.873 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.02 150.64 24.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.591 0.756 . . . . 71.34 110.448 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 84.1 t -80.09 89.75 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 N-CA-C 108.635 -0.876 . . . . 72.25 108.635 173.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.7 t -76.86 98.8 4.98 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.199 1.0 . . . . 73.24 109.066 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.9 mt -82.33 108.49 11.96 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.866 0.866 . . . . 72.13 109.264 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.57 114.44 3.7 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.731 1.621 . . . . 75.22 111.053 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.525 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.0 mt -86.46 104.86 16.33 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 109.427 -0.583 . . . . 75.31 109.427 -178.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.447 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 15.8 t70 -75.7 97.62 3.87 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.226 -0.657 . . . . 72.41 109.226 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 64' ' ' LEU . 47.7 mt . . . . . 0 N--CA 1.474 0.727 0 C-N-CA 123.333 0.653 . . . . 74.51 110.066 -174.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.151 -0.315 . . . . 72.25 110.151 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.98 -22.77 78.68 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.079 0.237 . . . . 62.15 112.91 172.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -62.01 -52.93 61.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.588 0.755 . . . . 72.25 109.225 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.399 -0.818 . . . . 73.52 112.153 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.474 HD22 HG22 ' A' ' 20' ' ' VAL . 55.5 tp -69.27 -42.43 75.55 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.215 0.606 . . . . 75.31 109.623 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.446 ' HB2' HD13 ' A' ' 54' ' ' LEU . 79.7 ttt180 -67.05 -43.45 82.68 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.926 -0.579 . . . . 75.51 110.917 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -60.4 -33.41 72.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.005 0.522 . . . . 75.55 110.425 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.78 -28.3 68.28 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.877 0.471 . . . . 74.21 111.125 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -85.11 -31.17 23.48 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.082 0.553 . . . . 64.33 110.811 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.91 -44.25 18.57 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.675 0.79 . . . . 71.23 111.874 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.29 -36.65 80.65 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.008 0.523 . . . . 71.42 111.063 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -75.17 -65.73 0.85 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.172 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -101.95 -39.03 7.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.33 -0.85 . . . . 74.3 111.381 -172.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.76 6.48 46.41 Favored Glycine 0 N--CA 1.477 1.379 0 CA-C-N 116.619 -0.264 . . . . 75.34 112.815 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.95 138.08 41.97 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.027 0.931 . . . . 75.53 109.509 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -90.27 93.79 9.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 74.31 109.548 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 62.3 m-85 -81.48 145.46 30.72 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.295 0.638 . . . . 75.23 110.439 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.7 p-10 -70.65 118.89 14.01 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.333 -0.617 . . . . 73.52 109.333 176.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.474 HG22 HD22 ' A' ' 6' ' ' LEU . 15.4 m -103.42 126.9 57.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.627 0.727 . . . . 63.12 109.688 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -122.63 -178.14 3.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.989 1.316 . . . . 73.43 109.884 -172.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.49 ' HB3' HD12 ' A' ' 29' ' ' ILE . 63.8 m-85 -121.5 142.23 50.26 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.212 0.529 . . . . 71.42 111.614 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.606 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 34.5 ttm180 -119.95 129.4 54.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.889 1.276 . . . . 74.22 108.302 172.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -119.75 98.99 6.37 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.31 -0.996 . . . . 73.55 108.31 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 t -141.0 135.32 31.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.971 0.508 . . . . 75.21 110.148 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 63.1 30.21 16.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.536 1.135 . . . . 74.2 111.306 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.05 6.82 69.31 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.721 -0.672 . . . . 74.22 113.776 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -104.9 155.92 18.49 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.909 0.884 . . . . 73.03 110.222 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -115.23 142.08 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.458 0.703 . . . . 74.3 109.29 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 73.8 m-85 -135.87 135.47 39.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.343 1.057 . . . . 75.1 108.701 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 39.3 tp -93.25 107.18 19.04 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.171 0.441 . . . . 74.33 109.928 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' HB3' ' HE2' ' A' ' 34' ' ' MET . 19.6 mm-40 -87.55 98.22 11.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.792 0.837 . . . . 75.1 112.097 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -73.13 103.85 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 108.353 -0.98 . . . . 73.33 108.353 169.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.457 ' HE2' ' HB3' ' A' ' 32' ' ' GLN . 22.1 mmt -71.51 167.31 19.95 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.059 0.544 . . . . 74.43 111.112 -178.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -78.96 -18.2 54.15 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.76 0.824 . . . . 71.45 111.827 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.66 ' HZ1' ' HB2' ' A' ' 36' ' ' LYS . 7.0 mtmp? -85.31 146.22 27.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.965 0.506 . . . . 75.25 109.661 177.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 18' ' ' TYR . 11.7 p90 -138.3 159.44 42.04 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.191 0.996 . . . . 75.3 109.409 -177.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 47' ' ' GLU . 59.4 tp -57.85 -25.25 60.45 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.061 0.945 . . . . 64.23 112.818 -172.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.09 29.5 0.34 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.201 0.6 . . . . 74.54 112.321 -174.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -100.3 155.37 17.82 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.237 1.015 . . . . 72.0 109.527 168.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -38.83 53.15 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.525 0.73 . . . . 63.14 110.947 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -111.93 76.03 0.95 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.661 0.785 . . . . 74.44 109.179 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.414 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 31.1 t80 -93.99 135.09 25.08 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 108.92 -0.77 . . . . 71.41 108.92 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HD2' ' CD1' ' A' ' 43' ' ' PHE . 8.8 Cg_endo -47.12 -34.23 17.0 Favored 'Trans proline' 0 C--N 1.385 2.497 0 C-N-CA 124.504 3.47 . . . . 74.31 114.936 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -116.21 152.28 34.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 74.12 109.82 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -74.43 165.14 25.7 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.069 -0.345 . . . . 74.41 110.069 170.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.517 ' HG3' HD23 ' A' ' 38' ' ' LEU . 38.4 tt0 -57.24 -50.01 74.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.823 0.849 . . . . 74.53 112.767 -174.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -66.46 -40.43 89.38 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.456 0.472 . . . . 74.04 110.669 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.6 -42.58 95.48 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.428 -0.805 . . . . 72.4 110.49 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -66.51 -43.82 84.23 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.49 -1.232 . . . . 74.34 111.326 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -64.01 -42.77 97.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.144 0.578 . . . . 73.54 110.981 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.81 -23.67 58.52 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.339 -0.846 . . . . 65.21 110.833 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -74.36 -32.69 62.87 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.867 0.467 . . . . 74.32 110.325 173.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 7' ' ' ARG . 85.9 mt -64.1 -36.99 85.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.882 0.473 . . . . 75.53 110.026 173.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.58 -30.57 65.98 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.118 -0.946 . . . . 75.2 110.675 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -68.85 -43.98 74.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.493 0.717 . . . . 65.13 110.479 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 52.9 t -64.53 -45.72 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.419 0.688 . . . . 74.31 110.29 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -67.7 -27.5 66.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 72.25 111.403 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -67.32 -41.08 85.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.479 -0.782 . . . . 73.23 110.219 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.734 0.413 . . . . 74.21 111.372 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 89.8 mt -61.49 -38.38 87.09 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.812 -0.631 . . . . 72.43 110.397 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -75.52 -37.63 59.96 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.965 0.506 . . . . 73.42 110.695 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.37 68.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.622 0.769 . . . . 75.32 112.168 -174.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.1 mt -98.6 -26.09 14.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.734 0.813 . . . . 75.13 110.391 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 3.47 56.99 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.837 -0.62 . . . . 74.13 113.182 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -82.17 5.77 70.52 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 119.189 -0.784 . . . . 60.13 114.463 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.86 71.08 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 117.667 0.733 . . . . 64.15 111.977 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.82 -34.83 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 115.785 -0.643 . . . . 74.02 110.409 175.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.88 -36.77 85.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.24 0.616 . . . . 71.21 111.365 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 89' ' ' ILE . 90.4 t -67.59 -51.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.294 0.638 . . . . 64.34 110.69 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.47 -48.15 82.77 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.883 -1.053 . . . . 55.43 111.378 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.1 m -63.97 -44.54 92.41 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.745 0.818 . . . . 74.33 111.428 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.41 -49.99 71.58 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.57 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.65 -31.82 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.34 0.656 . . . . 74.53 111.469 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.23 -36.64 82.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.868 0.467 . . . . 52.22 111.408 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -84.59 -57.69 3.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.168 0.587 . . . . 73.23 111.889 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.7 t -58.03 151.7 18.07 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.937 0.895 . . . . 75.44 111.785 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -129.3 20.25 5.77 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.889 0.876 . . . . 72.4 109.127 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.48 143.86 36.27 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.782 0.833 . . . . 74.11 110.777 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -114.52 136.69 22.41 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.961 0.904 . . . . 74.4 110.813 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.01 125.4 15.8 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.229 2.619 . . . . 60.45 113.308 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB3' ' HB2' ' A' ' 85' ' ' LYS . 70.4 ttt180 -127.73 158.21 38.26 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.309 1.444 . . . . 75.13 108.887 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.53 104.84 0.37 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.66 0.664 . . . . 74.34 109.617 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.39 -33.59 5.6 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 111.749 -0.54 . . . . 71.42 111.749 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 5.9 mptp? -103.57 112.06 24.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.581 0.752 . . . . 75.1 110.183 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.4 38.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.517 0.727 . . . . 72.21 109.188 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 40.3 t -80.2 89.36 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 108.414 -0.958 . . . . 75.34 108.414 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 t -77.48 102.68 7.01 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.083 -1.08 . . . . 71.24 108.083 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 70' ' ' VAL . 71.8 mt -82.89 110.4 22.74 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 124.071 0.948 . . . . 74.44 109.165 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.3 113.08 3.68 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 121.789 1.659 . . . . 74.32 111.469 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 29' ' ' ILE . 26.1 mt -89.01 93.09 9.48 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.937 -1.134 . . . . 72.31 107.937 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.94 84.26 3.48 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 114.947 -1.024 . . . . 63.32 109.492 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.472 0.643 0 CA-C-N 114.805 -1.089 . . . . 74.42 111.113 -170.838 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.247 0.959 0 N-CA-C 109.637 -0.505 . . . . 71.44 109.637 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.57 -18.75 59.38 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 115.62 -0.718 . . . . 74.22 113.902 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.92 -36.39 69.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.34 0.656 . . . . 75.2 110.386 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -66.4 -48.67 69.31 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.22 0.534 . . . . 62.05 110.249 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 HG22 ' A' ' 20' ' ' VAL . 24.7 tp -65.6 -39.46 91.57 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.389 -1.278 . . . . 72.41 110.585 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.13 -53.18 61.0 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.102 0.961 . . . . 74.54 109.929 173.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.96 83.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.898 -1.046 . . . . 73.15 109.829 -176.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.39 -36.29 83.66 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.525 0.73 . . . . 73.52 111.414 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.0 mt -77.93 -31.78 51.2 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.188 0.595 . . . . 75.25 110.334 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.56 -25.41 50.06 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.629 0.772 . . . . 73.24 111.465 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.31 -46.31 16.37 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.896 0.878 . . . . 74.25 108.87 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -74.41 -60.33 2.32 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.01 -0.996 . . . . 72.44 111.847 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -105.81 -24.01 12.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.153 0.581 . . . . 73.52 112.031 -170.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.43 17.72 70.55 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 113.37 0.108 . . . . 73.31 113.37 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -135.48 141.95 45.42 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.747 0.819 . . . . 74.41 109.688 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 p -83.76 73.45 10.28 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.061 -0.972 . . . . 73.44 110.398 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.31 156.8 39.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.365 0.666 . . . . 74.24 112.574 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.54 126.17 42.67 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.426 -0.953 . . . . 71.32 108.426 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.667 HG22 HD23 ' A' ' 6' ' ' LEU . 30.8 m -105.28 135.57 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.294 0.637 . . . . 65.3 109.438 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.45 128.28 37.11 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.67 0.388 . . . . 75.15 110.853 -173.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' HB3' HD13 ' A' ' 29' ' ' ILE . 47.4 m-85 -67.69 149.21 50.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.2 0.6 . . . . 72.24 111.212 172.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -159.62 122.66 3.57 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.522 -0.763 . . . . 75.32 109.601 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -92.61 104.52 16.8 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.438 -0.949 . . . . 74.0 108.438 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -142.02 140.27 32.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.569 0.748 . . . . 74.23 109.631 -175.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 65.13 16.71 10.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.541 1.136 . . . . 73.45 112.193 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.27 -14.42 62.37 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.762 0.696 . . . . 40.52 112.546 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 51.4 mttm -108.55 162.85 13.75 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.731 0.813 . . . . 75.42 110.918 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -92.29 135.59 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 109.126 -0.694 . . . . 72.32 109.126 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 28' ' ' LYS . 66.5 m-85 -130.43 145.92 51.9 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.506 1.122 . . . . 70.34 108.797 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -106.63 97.65 7.42 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.038 -0.727 . . . . 74.4 109.038 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -87.97 109.46 19.83 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.889 0.376 . . . . 72.31 110.604 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.631 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 47.4 t -68.92 107.95 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.323 -0.853 . . . . 73.42 109.149 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.4 mmt -66.98 155.55 38.3 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.454 0.702 . . . . 72.44 111.413 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -70.54 -9.59 57.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.904 1.282 . . . . 74.03 111.603 171.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -75.82 128.43 35.13 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.136 0.974 . . . . 74.02 109.569 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -138.01 153.24 49.41 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.795 0.838 . . . . 72.4 110.063 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 tp -65.25 -17.68 64.7 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.7 0.8 . . . . 73.54 112.704 -168.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.72 -29.09 70.35 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.491 0.716 . . . . 75.33 111.487 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -84.2 139.67 32.23 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.032 0.533 . . . . 63.4 110.133 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.52 3.62 35.68 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.041 0.936 . . . . 75.02 111.783 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 m -102.56 17.2 24.27 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.579 0.752 . . . . 74.41 111.255 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.24 134.06 93.39 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 123.838 0.855 . . . . 75.11 110.72 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -52.78 -36.98 75.56 Favored 'Trans proline' 0 C--N 1.384 2.416 0 C-N-CA 123.842 3.028 . . . . 75.31 114.899 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -112.14 176.91 4.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.511 0.672 . . . . 74.22 111.065 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -84.09 -175.17 5.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 114.893 -1.049 . . . . 62.44 109.927 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.62 -59.9 4.02 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.113 0.965 . . . . 72.02 111.208 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 m -64.51 -42.17 95.97 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.43 0.692 . . . . 74.14 110.191 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.2 -39.73 75.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.646 0.778 . . . . 73.34 111.758 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.413 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 19.7 t80 -65.48 -47.18 76.96 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.396 0.678 . . . . 72.31 111.366 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -66.69 -35.56 80.42 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.975 0.416 . . . . 72.53 110.844 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.66 -23.36 49.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.613 0.765 . . . . 73.11 111.098 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.24 -45.9 82.77 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 109.238 -0.653 . . . . 64.44 109.238 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.413 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 95.0 mt -61.11 -39.71 91.04 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.76 0.662 . . . . 75.32 110.449 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.35 -32.41 70.1 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.153 0.908 . . . . 72.21 111.151 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -72.87 -41.55 64.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.545 -0.752 . . . . 75.23 110.352 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.13 -49.34 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.402 -0.817 . . . . 74.02 110.003 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -24.74 67.27 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 124.301 1.04 . . . . 74.3 112.059 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -62.81 -49.46 74.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.09 0.956 . . . . 73.0 109.988 171.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -72.47 -26.35 61.78 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.318 -0.401 . . . . 71.22 112.003 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.16 -40.16 95.54 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.077 -0.342 . . . . 74.44 110.077 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.13 -50.08 51.23 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.755 -0.657 . . . . 73.0 109.897 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 -50.49 73.1 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.573 1.149 . . . . 73.11 113.058 -172.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.17 -14.22 53.88 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.657 -0.701 . . . . 62.5 111.571 -175.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.52 30.82 39.06 Favored Glycine 0 C--N 1.354 1.539 0 O-C-N 123.417 0.448 . . . . 73.12 112.715 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.56 12.04 35.84 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.692 -0.504 . . . . 75.33 113.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.32 66.19 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.085 0.554 . . . . 52.11 111.652 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.95 -31.09 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 115.343 -0.844 . . . . 75.32 110.177 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.5 mm-40 -63.45 -38.4 90.98 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.959 0.504 . . . . 74.44 110.948 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -70.96 -47.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.544 0.738 . . . . 75.42 110.981 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.34 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.129 0.572 . . . . 74.24 111.23 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.6 m -63.87 -48.47 76.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.508 0.723 . . . . 73.42 110.599 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.418 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.1 t80 -66.72 -53.93 28.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.976 -0.556 . . . . 74.42 111.025 -174.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mt -57.33 -40.42 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.481 0.712 . . . . 75.52 111.108 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -69.91 -52.03 28.06 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 122.424 0.29 . . . . 73.21 111.688 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.94 -20.68 60.3 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 112.954 0.724 . . . . 74.52 112.954 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -79.92 178.01 8.51 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -149.77 21.88 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.597 0.759 . . . . 75.22 109.058 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -85.85 128.64 34.87 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.669 -0.696 . . . . 73.32 109.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -95.42 135.39 23.26 Favored Pre-proline 0 C--O 1.241 0.648 0 O-C-N 124.174 0.922 . . . . 74.32 109.366 -177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.28 119.29 6.29 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.455 2.103 . . . . 74.12 110.317 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 74.3 ttt180 -124.36 163.71 21.16 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.175 0.99 . . . . 71.13 108.604 -176.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.24 111.59 1.26 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.805 0.442 . . . . 71.22 111.061 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.11 5.26 83.35 Favored Glycine 0 N--CA 1.478 1.492 0 O-C-N 123.325 0.391 . . . . 71.42 113.261 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 62.8 tttm -129.17 103.61 7.07 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.774 1.23 . . . . 72.01 109.722 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.4 159.66 15.86 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.899 0.479 . . . . 71.22 111.021 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.631 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 57.9 t -98.66 90.35 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.717 -1.216 . . . . 75.32 107.717 171.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -80.63 103.52 10.54 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.454 0.702 . . . . 62.14 109.613 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.418 HG12 ' CD2' ' A' ' 73' ' ' PHE . 69.0 mt -81.41 116.6 63.88 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.174 0.99 . . . . 74.53 109.632 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.99 113.5 3.8 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 121.919 1.746 . . . . 74.41 111.287 175.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.17 93.32 9.0 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.611 -1.255 . . . . 74.11 107.611 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.474 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 32.0 t70 -68.64 86.68 0.32 Allowed 'General case' 0 C--O 1.243 0.711 0 CA-C-N 114.963 -1.017 . . . . 71.32 109.911 -176.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 124.5 1.12 . . . . 71.21 109.0 -178.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.472 HG21 ' HG2' ' A' ' 5' ' ' GLU . 9.9 t . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 109.392 -0.596 . . . . 74.12 109.392 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.67 60.18 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.067 -0.296 . . . . 63.34 113.687 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.13 -42.19 69.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.089 0.556 . . . . 74.25 109.783 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.472 ' HG2' HG21 ' A' ' 2' ' ' THR . 34.4 mm-40 -72.39 -37.6 68.66 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.851 0.46 . . . . 74.31 110.688 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.3 tp -64.94 -36.87 85.77 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.069 -0.514 . . . . 73.31 110.436 176.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -59.2 -52.95 63.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.07 0.948 . . . . 75.24 110.14 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -65.83 -24.34 66.87 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.117 -0.947 . . . . 75.35 111.942 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.34 -39.37 85.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.905 0.482 . . . . 73.34 109.993 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.3 mt -78.08 -36.42 48.21 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.558 0.743 . . . . 74.35 110.124 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.73 -31.07 66.31 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.839 0.856 . . . . 75.51 112.23 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.26 -38.93 55.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.722 0.809 . . . . 74.51 109.996 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -80.01 -66.0 0.93 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.031 -0.531 . . . . 74.23 111.254 -173.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.45 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.2 m-90 -105.56 -4.09 21.59 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.401 -0.818 . . . . 71.35 111.848 -171.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.05 7.08 84.0 Favored Glycine 0 C--N 1.35 1.328 0 N-CA-C 114.008 0.363 . . . . 73.43 114.008 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -141.69 145.73 35.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.166 0.986 . . . . 74.41 109.534 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.8 p -90.36 90.84 8.22 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.721 0.809 . . . . 75.2 110.122 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.43 151.23 24.79 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.462 0.705 . . . . 73.01 111.87 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.07 137.26 51.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.9 -0.778 . . . . 54.23 108.9 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG22 HG23 ' A' ' 57' ' ' VAL . 6.9 m -122.98 125.62 72.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.443 -0.947 . . . . 73.3 108.443 175.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -126.79 133.9 50.7 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.184 0.594 . . . . 74.43 109.727 -176.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 29' ' ' ILE . 69.0 m-85 -66.94 142.61 57.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.569 0.748 . . . . 74.53 110.55 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -130.23 106.03 8.31 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -94.5 97.69 10.33 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.154 -1.054 . . . . 75.51 108.154 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -142.69 140.76 31.65 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.985 0.914 . . . . 61.42 109.346 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 65.51 21.12 11.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.405 1.482 . . . . 73.13 110.847 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.32 0.26 86.11 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 116.377 -0.374 . . . . 72.24 113.376 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -106.04 179.84 4.15 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.212 1.005 . . . . 74.42 110.371 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 22' ' ' PHE . 7.0 tp -133.4 128.56 55.28 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 121.605 0.716 . . . . 70.43 110.656 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -129.78 124.8 34.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.486 1.114 . . . . 73.42 108.46 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -89.89 98.14 11.6 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.564 -0.902 . . . . 64.41 108.564 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.15 112.77 23.09 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.047 0.539 . . . . 71.32 111.288 -175.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.8 t -73.8 114.67 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.063 -0.972 . . . . 72.12 109.336 174.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.8 mmt -69.69 161.83 28.94 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.92 0.888 . . . . 64.44 111.284 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -82.07 -9.19 59.62 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.947 1.299 . . . . 75.22 110.159 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.0 116.83 22.43 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.78 0.832 . . . . 74.42 109.668 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -113.79 157.87 21.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.266 0.626 . . . . 74.53 110.357 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.26 -30.85 69.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.074 0.95 . . . . 74.14 112.905 -170.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.46 -16.33 63.86 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.501 0.72 . . . . 71.22 112.124 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.49 138.06 46.76 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.135 0.574 . . . . 63.33 109.756 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.81 63.7 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.02 0.928 . . . . 72.34 111.728 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.8 m -90.25 10.54 24.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.826 0.85 . . . . 64.31 112.572 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.81 129.07 93.59 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-O 118.936 -0.554 . . . . 74.31 110.015 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -63.91 -31.68 66.94 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.934 2.423 . . . . 74.45 114.23 -169.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 mtm -104.58 157.67 17.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.159 0.583 . . . . 73.15 110.733 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.601 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 52.0 m-80 -74.22 168.37 19.73 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.178 -0.465 . . . . 75.44 109.834 170.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.03 -40.76 97.03 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.842 0.857 . . . . 72.3 111.411 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 m -63.39 -48.74 76.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.727 0.811 . . . . 73.24 109.99 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.601 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.2 mm-40 -62.41 -37.52 86.13 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.552 0.741 . . . . 71.01 110.73 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -68.29 -41.33 81.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.916 0.886 . . . . 73.44 111.334 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -65.39 -43.63 90.07 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.012 0.434 . . . . 74.23 110.226 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.32 -29.06 68.53 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 115.235 -0.893 . . . . 75.34 110.717 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -68.46 -40.72 80.96 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.004 0.922 . . . . 73.25 110.072 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.52 -43.32 99.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.751 0.657 . . . . 75.1 110.363 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.56 -27.57 58.66 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.583 -0.735 . . . . 71.11 110.771 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.2 t -72.56 -36.81 68.31 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.054 0.542 . . . . 75.54 110.913 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 HG22 ' A' ' 20' ' ' VAL . 40.9 t -67.27 -51.71 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.237 -0.653 . . . . 71.43 109.237 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -22.23 65.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.979 0.911 . . . . 72.43 112.121 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.52 -45.67 78.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 71.42 110.656 174.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -75.52 -27.41 58.73 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.899 0.48 . . . . 73.5 111.014 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 91.9 mt -71.04 -29.79 65.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.087 0.47 . . . . 71.52 110.001 174.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -75.01 -45.84 39.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.921 0.888 . . . . 75.32 109.634 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.43 62.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.559 0.744 . . . . 72.32 111.782 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -83.12 -11.13 58.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.118 0.967 . . . . 73.34 112.117 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.97 17.31 79.96 Favored Glycine 0 C--N 1.351 1.389 0 O-C-N 123.376 0.422 . . . . 61.31 112.543 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.58 3.62 86.88 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.676 -0.513 . . . . 53.35 113.994 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.03 84.23 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.274 0.537 . . . . 72.44 111.514 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.74 -37.15 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.071 0.857 . . . . 72.23 110.064 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.59 -45.72 91.6 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.62 0.768 . . . . 73.02 112.46 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 89' ' ' ILE . 67.2 t -65.19 -46.88 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.675 0.79 . . . . 73.31 110.328 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 9.2 mtpm? -65.75 -41.27 92.32 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.797 -1.092 . . . . 73.43 111.498 -176.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -45.64 72.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.298 1.039 . . . . 73.54 110.416 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -62.13 -55.88 24.43 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.22 -0.9 . . . . 73.23 110.115 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.89 -32.85 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.453 0 C-N-CA 124.214 1.006 . . . . 74.42 111.835 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.5 m -68.88 -42.81 76.49 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.268 0.627 . . . . 74.3 111.238 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.05 -39.99 22.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.366 0.666 . . . . 72.13 112.751 -174.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 t -77.72 160.23 28.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.071 0.548 . . . . 71.1 109.689 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -125.16 12.7 8.3 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.599 0.759 . . . . 75.32 109.943 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.65 138.05 46.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.045 0.538 . . . . 75.4 110.869 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 89.8 mtt180 -107.18 142.96 26.17 Favored Pre-proline 0 N--CA 1.474 0.756 0 CA-C-N 114.976 -1.011 . . . . 74.53 109.869 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.9 118.17 5.18 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.296 1.997 . . . . 75.43 111.12 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.643 ' HB2' ' HB3' ' A' ' 85' ' ' LYS . 36.0 mmt180 -97.24 177.95 5.4 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.533 1.133 . . . . 72.31 111.242 -174.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.7 tp -81.31 92.42 6.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.823 -1.08 . . . . 74.3 109.577 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.74 -34.4 5.68 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.43 -0.805 . . . . 61.33 111.839 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 23.5 tptm -95.27 104.44 16.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.385 -0.598 . . . . 72.22 109.385 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.31 148.7 27.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.443 0.697 . . . . 55.53 110.383 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 63.2 t -74.84 89.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.293 -1.003 . . . . 64.42 108.293 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.0 t -78.12 94.48 4.71 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.465 -0.789 . . . . 74.51 108.964 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.474 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -79.35 108.31 8.31 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 123.848 0.859 . . . . 73.52 109.568 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.5 115.22 4.26 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 121.704 1.603 . . . . 70.54 110.839 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' ' 29' ' ' ILE . 64.7 mt -83.55 95.96 8.48 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.748 -0.834 . . . . 72.54 108.748 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.11 90.82 2.53 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.64 0.733 . . . . 72.21 109.076 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 CA--C 1.54 0.58 0 CA-C-N 115.19 -0.914 . . . . 73.11 109.694 -179.726 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 tpp . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 109.905 -0.406 . . . . 74.12 109.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.6 p -106.96 170.67 7.81 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.612 1.165 . . . . 73.15 107.968 163.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.11 67.54 Favored Glycine 0 C--N 1.347 1.178 0 N-CA-C 112.012 -0.435 . . . . 62.13 112.012 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.19 -58.51 7.5 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.591 1.156 . . . . 74.31 110.126 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -58.32 -33.84 69.95 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.496 0.719 . . . . 75.01 111.367 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.679 HD21 HG22 ' A' ' 20' ' ' VAL . 19.2 tp -68.51 -52.84 27.83 Favored 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.187 0.929 . . . . 72.42 110.484 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.41 ' HD2' ' OE1' ' A' ' 51' ' ' GLN . 11.5 ptm85 -64.21 -38.57 91.54 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.348 0.405 . . . . 74.21 111.123 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -66.93 -30.58 70.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.105 0.562 . . . . 64.05 110.593 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.4 tp -69.81 -34.05 73.17 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.084 0.554 . . . . 74.41 110.171 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.2 mt -78.12 -38.09 44.73 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.538 0.735 . . . . 73.21 110.937 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.43 -44.64 28.41 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.037 0.935 . . . . 75.12 111.223 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 -32.98 74.95 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.886 0.475 . . . . 73.33 110.834 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -81.29 -65.84 0.96 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.973 -0.558 . . . . 70.34 111.474 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.53 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 7.3 m0 -105.84 -11.28 16.29 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.775 0.83 . . . . 73.43 112.241 -168.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.54 16.78 77.14 Favored Glycine 0 N--CA 1.471 1.025 0 CA-C-O 119.882 -0.399 . . . . 63.43 113.534 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 83.2 m-85 -144.49 148.2 34.23 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.24 1.016 . . . . 72.14 109.164 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.6 p -93.79 93.33 7.91 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.447 0.699 . . . . 75.54 109.525 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.5 m-85 -83.11 158.74 22.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.796 0.838 . . . . 72.2 112.68 -174.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -79.56 143.18 35.05 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.072 -0.967 . . . . 70.11 108.588 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.679 HG22 HD21 ' A' ' 6' ' ' LEU . 16.3 m -131.12 127.09 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.732 0.813 . . . . 72.41 108.916 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -135.01 145.11 47.76 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.382 0.673 . . . . 73.1 110.424 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.596 ' HB3' HD12 ' A' ' 29' ' ' ILE . 79.8 m-85 -80.96 147.38 30.27 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.857 0.863 . . . . 75.41 110.645 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -145.51 132.0 19.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.413 0.685 . . . . 75.24 109.677 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.7 128.14 49.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.2 1.0 . . . . 74.23 109.568 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 t -143.68 128.8 18.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.73 0.812 . . . . 74.43 109.341 174.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 69.09 -3.56 1.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.108 1.363 . . . . 73.32 112.936 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.76 9.55 37.37 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 122.294 -0.254 . . . . 73.13 112.702 -171.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -100.67 154.25 18.75 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.442 1.097 . . . . 75.35 108.668 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 22' ' ' PHE . 9.5 tp -113.69 133.28 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.418 -0.586 . . . . 55.41 109.418 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -127.6 141.72 51.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.538 1.135 . . . . 74.14 109.058 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -101.42 100.27 10.72 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.812 -0.81 . . . . 74.21 108.812 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -86.86 107.01 18.14 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 123.48 0.712 . . . . 73.5 110.422 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.536 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 43.0 t -72.76 107.86 3.73 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-N 115.136 -0.938 . . . . 75.41 108.781 171.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -66.64 153.71 42.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.852 0.861 . . . . 75.31 110.706 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.0 p90 -79.78 -4.65 52.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.05 0.94 . . . . 74.31 111.798 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -88.9 133.95 34.12 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.637 0.775 . . . . 71.52 109.095 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -133.42 157.6 45.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.14 0.976 . . . . 74.4 110.022 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.1 -19.19 65.87 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.4 0.68 . . . . 75.02 112.115 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -73.66 -16.6 61.21 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.292 0.637 . . . . 74.0 110.867 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -70.02 137.0 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.604 0.761 . . . . 75.21 110.005 168.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.65 85.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.892 0.877 . . . . 63.13 111.484 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -97.6 40.67 1.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.033 0.933 . . . . 75.52 111.678 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -81.63 129.76 64.24 Favored Pre-proline 0 CA--C 1.565 1.52 0 N-CA-C 109.965 -0.383 . . . . 74.24 109.965 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.83 -6.98 20.36 Favored 'Trans proline' 0 C--N 1.391 2.78 0 C-N-CA 123.445 2.763 . . . . 75.41 114.696 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.6 mtm -121.94 144.05 49.1 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.388 0.675 . . . . 73.41 109.928 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -77.07 175.68 9.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.038 -0.528 . . . . 74.44 109.934 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.9 -47.06 86.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.757 0.823 . . . . 72.44 112.315 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.9 m -71.44 -46.41 60.13 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.022 0.529 . . . . 75.03 110.828 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.41 -39.43 87.34 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.826 0.85 . . . . 71.23 111.252 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.523 1.139 . . . . 74.21 110.478 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.41 ' OE1' ' HD2' ' A' ' 7' ' ' ARG . 54.9 tp60 -72.91 -37.72 67.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.773 0.429 . . . . 72.4 110.929 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.5 -32.39 73.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.717 0.807 . . . . 74.42 109.948 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -65.75 -46.71 77.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.237 1.015 . . . . 75.13 109.746 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' A' ' 7' ' ' ARG . 95.2 mt -59.83 -42.72 94.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.681 0.613 . . . . 73.22 111.081 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -74.82 -27.22 60.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 124.05 0.844 . . . . 73.44 110.604 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 t -72.38 -41.75 65.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.177 0.591 . . . . 52.41 110.083 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.45 -46.6 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.108 0.963 . . . . 73.05 110.085 173.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -28.85 69.09 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.432 1.093 . . . . 72.22 111.511 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -62.01 -44.17 97.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.891 0.876 . . . . 73.4 109.879 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -70.02 -39.29 75.9 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.461 0.704 . . . . 75.41 111.22 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.68 -36.56 76.72 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.76 0.424 . . . . 74.04 110.416 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -72.9 -45.07 60.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.989 0.916 . . . . 73.05 110.738 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.54 95.7 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.064 0.945 . . . . 74.1 111.774 -175.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -89.21 -22.25 22.86 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.95 0.9 . . . . 73.52 111.475 -174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.87 12.22 69.03 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 116.631 -0.259 . . . . 64.12 112.609 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.21 -1.45 89.52 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 120.137 -0.257 . . . . 72.05 113.043 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.02 88.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.762 0.825 . . . . 70.42 111.824 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.99 -40.14 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.152 0.907 . . . . 71.43 109.283 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.3 mm-40 -63.48 -36.32 83.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.848 0.859 . . . . 74.3 111.3 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.08 -46.16 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.672 0.789 . . . . 71.33 110.513 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.63 -18.59 62.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.829 0.851 . . . . 72.01 112.312 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -90.12 -41.09 11.85 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.315 0.646 . . . . 75.21 109.826 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -68.32 -62.17 1.51 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.877 0.471 . . . . 63.45 110.521 -174.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.5 mt -58.53 -46.21 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.986 0.803 . . . . 74.24 111.625 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -62.06 -40.48 95.91 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 123.435 0.459 . . . . 73.14 111.516 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -83.3 -36.88 24.12 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.235 0.457 . . . . 73.04 112.235 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.6 t -72.95 155.66 39.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.577 0.351 . . . . 73.42 111.04 -172.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -105.86 4.2 29.45 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.505 0.722 . . . . 73.22 110.447 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -62.63 140.36 58.68 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.631 0.772 . . . . 73.43 111.38 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.53 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 42.8 mtt180 -119.46 137.92 25.95 Favored Pre-proline 0 C--O 1.243 0.729 0 C-N-CA 124.333 1.053 . . . . 74.44 108.753 167.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 33.2 Cg_endo -66.49 120.34 7.46 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 121.916 1.744 . . . . 64.42 110.347 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -125.11 156.57 38.1 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.572 1.549 . . . . 74.11 109.14 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 60.5 tp -56.33 99.48 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.844 0.858 . . . . 73.0 110.888 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.72 -26.88 11.06 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.418 -0.81 . . . . 71.53 113.309 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -112.65 103.23 11.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.671 -0.863 . . . . 75.42 108.671 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.38 145.52 24.88 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.198 -0.667 . . . . 63.53 109.198 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.536 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 73.6 t -79.9 87.7 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.775 -1.194 . . . . 74.52 107.775 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -85.35 87.28 7.37 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 115.122 -0.945 . . . . 63.23 108.886 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.8 mt -67.18 114.33 18.0 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.756 -1.111 . . . . 73.2 110.468 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.61 113.22 2.87 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.914 1.743 . . . . 73.42 110.529 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.581 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.0 mt -91.69 90.81 7.71 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.218 -1.03 . . . . 71.54 108.218 176.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.519 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 7.1 t70 -69.66 123.34 21.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.536 -1.211 . . . . 62.12 108.028 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 64.1 mt -117.58 24.37 11.13 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.778 -0.823 . . . . 74.32 108.778 173.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.03 -67.49 1.95 Allowed Glycine 0 C--N 1.352 1.432 0 N-CA-C 110.935 -0.866 . . . . 63.3 110.935 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.59 -28.82 51.74 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.004 0.521 . . . . 72.43 110.551 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.563 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 30.4 mmt180 -74.15 -34.89 63.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.546 0.738 . . . . 72.21 112.228 -169.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.05 -37.68 13.27 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.612 0.365 . . . . 64.05 111.384 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.403 ' HB3' HD11 ' A' ' 103' ' ' LEU . 67.5 m -62.51 -10.49 12.04 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.916 1.08 . . . . 65.21 113.916 -172.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -62.08 -47.59 83.99 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.406 0.682 . . . . 72.22 111.064 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -86.05 -15.87 39.96 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.876 0.307 . . . . 75.41 111.3 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.8 -31.58 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 109.094 -0.706 . . . . 75.11 109.094 167.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.9 mm 70.09 84.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.87 0 C-N-CA 124.606 1.162 . . . . 73.43 109.761 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 98' ' ' SER . 78.0 mt -79.96 112.42 17.24 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.35 -0.841 . . . . 73.11 109.176 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.248 1.006 0 C-N-CA 123.275 0.63 . . . . 75.53 109.518 -178.05 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' SD ' HD13 ' A' ' 6' ' ' LEU . 48.6 ttm . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 110.652 -0.129 . . . . 73.22 110.652 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.9 p -89.58 169.7 11.12 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.717 0.807 . . . . 74.1 109.23 167.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.05 61.92 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-O 121.036 0.242 . . . . 73.12 112.792 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 45.0 tt0 -65.82 -56.59 11.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.397 1.079 . . . . 73.41 110.223 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.33 -38.6 74.32 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.294 0.638 . . . . 65.11 112.454 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.753 HD22 HG23 ' A' ' 20' ' ' VAL . 37.2 tp -59.99 -54.24 48.38 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.922 0.764 . . . . 73.34 111.029 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.645 ' HB3' HD13 ' A' ' 54' ' ' LEU . 5.6 ptm180 -67.42 -39.57 85.47 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.41 0.444 . . . . 75.44 111.434 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -67.53 -30.57 70.26 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.146 0.578 . . . . 74.44 110.586 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.5 tp -64.28 -36.93 85.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.821 0.848 . . . . 75.35 110.327 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 22.6 mt -76.6 -35.9 57.83 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.713 0.805 . . . . 72.34 110.169 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.8 -33.0 64.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.264 1.026 . . . . 73.43 111.769 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -77.83 -45.09 25.36 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.111 0.481 . . . . 75.31 109.978 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -71.48 -56.91 5.01 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.266 -0.879 . . . . 74.22 111.35 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -112.86 -11.83 13.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.805 0.668 . . . . 73.41 112.805 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 6.73 85.24 Favored Glycine 0 N--CA 1.477 1.392 0 N-CA-C 114.249 0.46 . . . . 72.44 114.249 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.461 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.6 m-85 -137.82 146.28 43.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.64 -0.874 . . . . 75.53 108.64 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -86.6 94.63 9.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 107.123 -1.436 . . . . 72.15 107.123 173.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 81.5 m-85 -83.31 156.77 22.89 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.069 0.948 . . . . 75.32 111.401 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.23 145.84 41.63 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.76 -0.83 . . . . 72.53 108.76 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 HD22 ' A' ' 6' ' ' LEU . 4.6 m -121.29 126.36 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.071 -1.085 . . . . 74.2 108.071 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -128.62 134.04 48.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.045 0.538 . . . . 71.25 110.109 -173.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.492 ' HB3' HD12 ' A' ' 29' ' ' ILE . 67.3 m-85 -75.68 135.41 40.41 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.464 0.706 . . . . 64.53 110.239 174.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -138.07 109.42 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.037 0.935 . . . . 75.03 108.597 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -97.03 112.15 24.04 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.387 0.675 . . . . 75.44 109.548 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 t -136.02 139.28 42.99 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.223 0.609 . . . . 72.22 109.359 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 65.63 21.71 11.67 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.289 1.436 . . . . 74.4 112.073 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.17 -10.34 74.45 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.886 -0.597 . . . . 73.41 112.661 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -102.74 156.11 17.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.226 1.01 . . . . 74.15 110.577 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 22' ' ' PHE . 7.3 tp -101.23 134.79 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 123.383 0.673 . . . . 74.41 110.066 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -128.36 138.07 52.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.096 1.358 . . . . 74.42 108.166 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD11 ' HB ' ' A' ' 20' ' ' VAL . 40.4 tp -99.78 101.6 12.79 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.25 -0.648 . . . . 75.44 109.25 174.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -90.85 111.7 23.21 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 110.242 -0.281 . . . . 74.34 110.242 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.31 109.31 2.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-N 115.547 -0.751 . . . . 74.54 109.193 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.01 156.47 35.94 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.986 0.914 . . . . 74.13 110.736 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -80.8 -2.67 48.09 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.448 1.099 . . . . 74.23 111.5 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 94.0 mttt -90.9 117.59 29.62 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.696 0.798 . . . . 75.44 109.737 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 164.7 12.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.252 1.021 . . . . 74.13 110.37 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.86 -12.07 59.89 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.75 0.82 . . . . 73.55 111.725 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.75 -36.12 71.66 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.612 0.765 . . . . 75.21 110.67 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 79.6 mt-30 -63.9 122.93 17.67 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.865 0.866 . . . . 72.14 110.246 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.75 -27.45 63.95 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.632 0.773 . . . . 73.22 110.982 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 m -90.86 12.67 18.69 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.785 0.834 . . . . 73.33 111.58 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -58.78 131.54 86.19 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.754 0.822 . . . . 73.42 109.816 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -60.19 -27.07 84.12 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.232 2.622 . . . . 73.32 113.552 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.6 mtm -108.43 152.06 25.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.858 0.863 . . . . 73.05 109.853 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.452 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 41.1 m-80 -77.05 179.91 5.96 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.749 0.42 . . . . 74.4 109.926 173.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.547 0.739 . . . . 74.13 111.69 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 8.5 m -76.86 -43.74 34.93 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.551 -0.295 . . . . 71.01 110.578 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 21.6 mm-40 -59.07 -38.36 79.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.816 0.847 . . . . 75.11 111.195 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -67.51 -40.65 85.13 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.453 -1.248 . . . . 72.15 110.991 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.417 HE22 ' HD2' ' A' ' 7' ' ' ARG . 58.1 tp60 -66.72 -36.48 82.57 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.574 0.226 . . . . 73.21 110.817 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 48' ' ' THR . 20.8 mm-40 -68.52 -33.51 74.26 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.969 -0.559 . . . . 73.01 110.344 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.12 -41.43 99.34 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.775 0.83 . . . . 75.32 110.33 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' A' ' 7' ' ' ARG . 96.8 mt -65.64 -46.17 80.23 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.342 0.657 . . . . 74.41 111.225 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.91 -31.4 71.15 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.047 -0.524 . . . . 72.12 110.714 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -64.74 -44.16 91.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.558 0.743 . . . . 73.21 110.837 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -70.11 -48.43 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.643 -0.708 . . . . 74.01 110.76 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.01 74.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.696 0.798 . . . . 64.55 111.827 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.69 -43.32 99.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.132 0.973 . . . . 71.23 110.342 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -37.39 78.1 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.073 0.949 . . . . 75.32 110.588 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.17 -36.02 82.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.464 0.706 . . . . 74.23 110.149 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -65.63 -42.07 91.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 74.53 110.208 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.81 69.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.709 0.804 . . . . 72.11 112.052 -177.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.46 HD13 HG22 ' A' ' 29' ' ' ILE . 96.0 mt -94.37 -22.51 18.27 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.816 0.847 . . . . 74.42 111.524 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 6.24 86.84 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.129 0.268 . . . . 71.42 112.696 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.79 -0.93 89.99 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 119.553 -0.582 . . . . 64.44 113.065 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.95 79.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.731 0.812 . . . . 71.21 111.217 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.62 -38.04 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 124.118 0.886 . . . . 74.1 110.094 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -64.96 -35.45 81.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.422 0.689 . . . . 72.12 111.715 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG11 HD12 ' A' ' 89' ' ' ILE . 94.3 t -72.56 -45.38 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.081 0.553 . . . . 75.14 110.194 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.03 -33.91 75.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.955 0.902 . . . . 74.52 111.663 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.6 m -82.08 -48.55 11.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.512 0.725 . . . . 74.11 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.53 -50.11 75.19 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.486 0.714 . . . . 74.45 111.484 -175.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.405 ' HA ' HG21 ' A' ' 77' ' ' THR . 23.8 mt -60.83 -39.12 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.861 0.726 . . . . 75.03 111.208 -176.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -70.26 -34.97 73.47 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 122.767 0.427 . . . . 73.23 111.453 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.079 0.552 . . . . 72.15 112.001 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.405 HG21 ' HA ' ' A' ' 74' ' ' ILE . 6.6 t -82.38 155.51 24.67 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.037 0.446 . . . . 74.33 111.217 -168.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -102.7 -6.89 22.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.797 0.839 . . . . 75.03 110.0 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -61.06 134.31 56.94 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.496 0.718 . . . . 74.33 111.314 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -123.32 135.16 25.72 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.116 -0.947 . . . . 74.04 109.004 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.05 114.56 3.94 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 121.805 1.67 . . . . 63.43 110.205 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.96 169.42 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.861 1.264 . . . . 75.44 109.809 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.12 97.53 0.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.744 0.653 . . . . 64.22 109.78 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.59 -14.44 35.42 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.655 -0.702 . . . . 52.31 113.229 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -122.78 109.53 14.33 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 109.052 -0.721 . . . . 74.23 109.052 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.63 153.58 20.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.737 0.815 . . . . 74.41 110.68 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.2 t -84.34 94.02 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 108.05 -1.093 . . . . 75.4 108.05 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.5 t -78.61 102.63 8.07 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.699 -0.852 . . . . 70.13 108.699 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.48 HD12 HG11 ' A' ' 70' ' ' VAL . 60.7 mt -86.18 112.84 48.58 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 123.754 0.822 . . . . 75.54 109.04 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 113.97 3.83 Favored 'Trans proline' 0 C--N 1.369 1.611 0 C-N-CA 121.845 1.697 . . . . 74.21 110.638 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.1 mt -78.32 92.77 4.57 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.9 -1.148 . . . . 71.31 107.9 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.6 94.28 0.41 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.33 -1.305 . . . . 75.21 109.614 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 82.1 mt -119.53 33.32 5.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.082 0.553 . . . . 75.1 110.601 -174.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.04 -82.62 0.13 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 111.683 -0.567 . . . . 73.53 111.683 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -71.05 -27.31 63.56 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.819 0.848 . . . . 75.24 110.53 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.466 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 7.1 mmm180 -68.41 -40.83 81.12 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.174 0.59 . . . . 74.04 112.264 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 93' ' ' LEU . . . -77.34 -15.01 59.61 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 121.836 -0.54 . . . . 72.12 110.885 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.6 t -89.03 -8.42 54.05 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.719 0.808 . . . . 74.31 111.872 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.39 -56.25 24.39 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.615 0.766 . . . . 75.12 111.207 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -75.55 -8.45 56.78 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 115.679 -0.692 . . . . 74.2 112.429 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 97' ' ' ALA . 1.4 mp -65.56 -24.44 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.451 0.7 . . . . 74.54 110.532 172.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.8 mm 63.66 90.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.574 1.15 . . . . 75.14 109.414 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -80.34 126.55 31.31 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 114.886 -1.052 . . . . 71.15 110.14 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 C--O 1.251 1.141 0 C-N-CA 123.819 0.848 . . . . 63.44 109.406 177.417 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 109.455 -0.572 . . . . 73.3 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.5 p -75.75 167.91 21.01 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.763 0.425 . . . . 72.21 110.679 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.37 -22.4 69.34 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.274 0.359 . . . . 73.33 112.483 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -61.79 -54.99 34.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.875 0.87 . . . . 71.34 109.765 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.01 -35.75 81.39 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.421 0.689 . . . . 64.33 111.455 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD23 HG22 ' A' ' 20' ' ' VAL . 64.6 tp -63.15 -45.39 92.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.044 0.937 . . . . 73.44 109.88 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.514 ' HB2' HD11 ' A' ' 54' ' ' LEU . 69.3 ttt180 -66.78 -42.9 85.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.539 0.736 . . . . 73.25 110.669 177.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.01 -26.8 68.43 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.532 0.733 . . . . 74.51 111.272 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 HD22 ' HG2' ' A' ' 71' ' ' LYS . 50.4 tp -68.02 -37.55 81.53 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.745 0.818 . . . . 64.31 110.172 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.0 mt -74.92 -34.9 62.2 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.685 0.794 . . . . 73.42 109.935 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD22 ' OG ' ' A' ' 17' ' ' SER . 97.0 mt -73.72 -30.72 63.0 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.216 1.007 . . . . 71.14 110.868 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.26 -47.72 22.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.378 0.671 . . . . 75.21 109.881 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -75.86 -62.26 1.65 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.317 -0.856 . . . . 74.21 112.068 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -106.15 -13.31 15.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.694 0.398 . . . . 75.24 111.757 -172.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 11' ' ' LEU . . . 82.42 13.8 77.75 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 115.024 0.77 . . . . 64.01 115.024 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.433 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 91.4 m-85 -138.0 150.65 47.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.149 0.58 . . . . 72.44 110.536 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.419 ' OG ' HD22 ' A' ' 11' ' ' LEU . 18.0 m -85.82 71.59 10.64 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.516 -0.765 . . . . 71.31 109.74 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 94.3 m-85 -70.25 146.43 50.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.048 0.539 . . . . 63.31 111.264 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -75.91 137.16 40.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.753 -0.832 . . . . 61.35 108.753 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.512 HG22 HD23 ' A' ' 6' ' ' LEU . 6.1 m -113.92 124.18 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 108.952 -0.759 . . . . 72.52 108.952 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.39 129.4 55.83 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.555 0.742 . . . . 63.53 110.76 -170.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' HB3' HD12 ' A' ' 29' ' ' ILE . 29.6 m-85 -74.62 129.03 36.99 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 122.549 0.34 . . . . 71.41 110.246 167.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -134.52 118.22 17.07 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.291 -1.003 . . . . 72.4 108.291 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -99.05 113.22 25.31 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.279 0.631 . . . . 73.52 110.727 -173.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -139.12 139.9 37.78 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.278 -0.638 . . . . 73.44 109.278 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 70.35 17.65 6.93 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.441 1.496 . . . . 75.13 112.106 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.19 -3.13 85.61 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.534 -0.303 . . . . 43.51 112.495 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -101.46 165.78 11.07 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 124.365 1.066 . . . . 71.0 109.717 -174.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 22' ' ' PHE . 8.8 tp -120.05 130.43 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.31 0.576 . . . . 74.41 110.321 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.02 125.23 36.88 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.681 1.193 . . . . 74.44 109.254 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.34 97.35 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 109.57 -0.53 . . . . 74.44 109.57 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -85.43 107.02 17.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.914 0.886 . . . . 74.5 110.194 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 26.5 t -72.67 106.49 2.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 174.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.6 mmt -63.28 147.31 51.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.205 1.002 . . . . 74.33 111.618 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.536 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 30.9 p90 -73.19 -12.78 61.0 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.351 1.061 . . . . 73.35 111.937 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -86.21 123.24 31.26 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.333 -0.617 . . . . 72.52 109.333 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -118.15 161.31 20.08 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.568 1.147 . . . . 74.31 109.949 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 47' ' ' GLU . 33.2 tp -68.42 -21.38 64.67 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.368 0.667 . . . . 75.22 112.097 -169.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -68.32 -10.33 54.05 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 123.527 0.731 . . . . 73.2 110.928 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -90.9 137.08 32.63 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.725 0.81 . . . . 63.54 111.554 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.4 -20.31 59.0 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.804 0.842 . . . . 73.23 110.944 172.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -75.67 -5.29 44.81 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.22 1.008 . . . . 75.12 111.845 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.71 120.15 66.29 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.762 0.825 . . . . 75.13 109.281 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.53 -3.91 14.33 Favored 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.053 2.502 . . . . 74.51 113.495 -171.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.3 mtp -114.47 155.02 27.15 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.462 1.105 . . . . 73.41 109.151 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.56 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 83.8 m-20 -80.32 172.71 13.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.792 -0.64 . . . . 73.35 109.545 172.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HA ' HD11 ' A' ' 38' ' ' LEU . 40.1 mt-10 -67.74 -34.34 76.63 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.497 0.719 . . . . 73.45 111.512 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 32.9 m -70.0 -45.2 67.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.409 0.683 . . . . 72.3 110.051 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.56 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 9.5 mm-40 -58.06 -42.57 85.77 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.551 0.74 . . . . 64.21 110.374 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -66.23 -43.17 87.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.67 -1.15 . . . . 73.41 111.415 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' LEU . 56.2 tp60 -67.02 -35.22 79.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.285 0.634 . . . . 73.11 111.159 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.0 mm-40 -74.23 -36.32 63.9 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.153 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -59.95 -40.9 90.58 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.963 0.905 . . . . 74.45 110.592 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 51' ' ' GLN . 70.3 mt -58.41 -51.45 69.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.016 0.927 . . . . 74.44 111.418 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.04 -22.97 55.13 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.363 -0.835 . . . . 73.35 110.78 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -69.64 -47.03 64.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.687 0.795 . . . . 75.14 109.559 171.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 40.5 t -62.44 -49.22 84.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 115.608 -0.723 . . . . 63.24 110.398 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.49 67.38 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.885 0.874 . . . . 70.15 112.147 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.62 -48.71 71.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.011 0.925 . . . . 74.21 110.078 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -70.48 -32.83 70.5 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.899 -0.591 . . . . 74.44 111.78 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 76.6 mt -59.6 -41.61 90.7 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.984 0.421 . . . . 74.02 109.946 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -70.02 -46.56 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.198 0.599 . . . . 73.4 110.814 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.64 77.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.991 0.916 . . . . 72.44 112.43 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.03 -22.09 19.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.831 0.853 . . . . 74.0 110.905 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.49 4.36 62.37 Favored Glycine 0 N--CA 1.478 1.498 0 O-C-N 123.36 0.413 . . . . 73.14 112.936 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 5.77 81.81 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 118.96 -0.911 . . . . 75.43 114.231 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.79 -46.47 81.93 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 118.199 0.999 . . . . 74.13 111.221 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.26 -36.38 76.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 114.956 -1.02 . . . . 74.24 109.638 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -61.6 -39.54 91.57 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.379 0.672 . . . . 54.05 111.52 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 89' ' ' ILE . 59.0 t -65.06 -52.5 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.629 0.771 . . . . 73.55 110.486 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HG2' HD22 ' A' ' 9' ' ' LEU . 46.7 mtpt -60.54 -39.66 88.68 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.69 -1.141 . . . . 74.12 111.359 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -66.4 -50.93 61.79 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.216 0.606 . . . . 72.45 110.018 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -58.08 -51.4 69.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.892 0.745 . . . . 73.23 111.149 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.7 -41.02 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.904 0.882 . . . . 61.1 111.016 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -72.9 -23.78 60.76 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.341 0.656 . . . . 74.14 111.844 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.46 -52.06 8.09 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.857 0.463 . . . . 73.42 110.499 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 t -72.67 177.92 4.45 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.692 0.797 . . . . 64.12 111.407 -174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -132.04 -2.47 3.61 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.694 0.798 . . . . 71.41 109.592 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -66.65 126.85 30.26 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.954 0.784 . . . . 71.44 110.819 -169.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -94.67 141.21 23.09 Favored Pre-proline 0 C--O 1.243 0.733 0 O-C-N 124.738 1.274 . . . . 72.12 109.575 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.536 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 22.1 Cg_exo -63.85 119.82 7.0 Favored 'Trans proline' 0 C--N 1.364 1.365 0 C-N-CA 122.195 1.93 . . . . 75.4 110.119 171.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 41.1 ttm180 -126.14 156.64 39.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.216 1.407 . . . . 74.31 108.353 -171.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.99 106.52 0.51 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.567 0.347 . . . . 72.32 110.546 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -24.1 28.18 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.685 -0.689 . . . . 74.24 112.51 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 8.5 tmtm? -110.4 104.25 12.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.377 1.071 . . . . 73.1 109.517 -177.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.9 144.04 26.79 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.225 -0.658 . . . . 74.42 109.225 170.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.9 t -84.21 88.44 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 107.907 -1.145 . . . . 73.21 107.907 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -80.2 100.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.25 -0.887 . . . . 65.53 109.561 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -81.65 111.78 28.75 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.53 1.132 . . . . 74.44 109.398 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.83 114.12 3.95 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 121.75 1.633 . . . . 72.35 111.012 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.442 ' HB2' HG22 ' A' ' 29' ' ' ILE . 54.5 mt -81.77 92.73 6.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.888 -1.153 . . . . 64.24 107.888 174.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.35 98.84 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.401 -0.818 . . . . 64.3 109.066 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 78.9 mt -121.98 85.6 2.44 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.46 -0.791 . . . . 73.2 109.359 -178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -119.65 -70.62 0.33 Allowed Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.247 -1.141 . . . . 75.42 110.247 170.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.39 -35.94 53.92 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.658 0.783 . . . . 73.35 110.308 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -77.77 -12.4 59.97 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.565 0.746 . . . . 75.44 111.646 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . . . -78.22 -15.64 58.6 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.468 0.307 . . . . 54.4 110.963 172.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t -93.12 -13.72 28.15 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.008 0.923 . . . . 73.25 112.235 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.26 -35.25 79.72 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.213 0.605 . . . . 74.32 112.115 -171.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -93.74 -5.03 49.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.445 0.698 . . . . 75.53 111.412 -174.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.0 mp -85.26 105.8 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 N-CA-C 107.712 -1.218 . . . . 74.05 107.712 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.9 mm -106.6 74.23 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.904 0.859 . . . . 73.42 108.821 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -111.36 82.83 1.67 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.207 -0.906 . . . . 74.34 108.765 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.256 1.404 0 CA-C-N 114.985 -1.007 . . . . 75.01 110.061 -179.255 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HG2' HD13 ' A' ' 61' ' ' LEU . 61.9 tpp . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.217 -0.29 . . . . 75.32 110.217 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.449 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 p -103.29 168.85 8.91 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.894 -1.15 . . . . 75.42 107.894 166.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.57 68.53 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.927 -0.469 . . . . 72.44 111.927 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.01 -47.1 60.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.443 1.097 . . . . 74.54 110.288 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 24.9 mm-40 -62.66 -36.17 81.98 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.793 0.437 . . . . 73.31 111.221 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.554 HD23 HG21 ' A' ' 20' ' ' VAL . 40.6 tp -61.37 -50.55 72.42 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.162 -0.926 . . . . 72.51 110.405 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.527 ' HB3' HD11 ' A' ' 54' ' ' LEU . 8.0 ptm180 -70.11 -35.21 73.97 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.373 0.421 . . . . 72.31 111.61 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -67.28 -34.06 76.62 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.011 0.524 . . . . 70.45 110.876 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.8 tp -60.25 -40.33 89.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.663 0.785 . . . . 74.23 110.418 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 19.2 mt -75.63 -32.41 60.25 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.847 0.859 . . . . 74.42 110.219 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.41 -27.24 46.63 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.159 0.984 . . . . 65.41 112.112 -177.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -87.12 -43.88 11.94 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.032 0.533 . . . . 70.53 109.907 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -80.21 -44.92 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.648 -0.251 . . . . 75.23 111.225 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -114.61 -10.58 12.48 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.67 0.618 . . . . 75.35 112.67 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.75 5.1 89.54 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 114.572 0.589 . . . . 64.32 114.572 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -141.19 147.54 38.52 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.158 0.983 . . . . 74.42 109.395 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -92.62 86.16 5.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.415 -0.958 . . . . 62.22 108.415 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -81.53 156.96 24.99 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.819 0.848 . . . . 74.13 112.307 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.51 164.6 24.58 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 108.568 -0.901 . . . . 73.01 108.568 171.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.554 HG21 HD23 ' A' ' 6' ' ' LEU . 5.9 m -139.84 130.66 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 123.677 0.791 . . . . 62.24 110.174 -175.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -110.84 129.08 55.96 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.065 0.946 . . . . 75.25 110.719 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -79.7 102.71 9.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.953 -0.758 . . . . 74.4 108.953 167.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -111.55 112.69 24.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.254 -0.647 . . . . 75.12 109.254 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -106.4 128.72 54.25 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.379 0.672 . . . . 75.31 109.765 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 t -136.5 132.08 34.82 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 124.339 1.055 . . . . 75.41 108.831 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 64.84 18.04 11.28 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.807 1.243 . . . . 72.01 112.339 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.39 -4.58 77.03 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.26 -0.427 . . . . 61.12 113.138 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -101.32 141.16 34.61 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 75.2 109.302 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 91' ' ' LEU . 10.5 tp -103.26 136.71 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-O 121.483 0.659 . . . . 72.14 110.549 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -131.96 125.21 31.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.605 1.162 . . . . 75.11 108.218 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.8 tp -88.91 96.12 10.58 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.302 -0.999 . . . . 74.12 108.302 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.64 102.05 13.82 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.492 0.717 . . . . 73.55 110.027 -177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 HG22 HG13 ' A' ' 20' ' ' VAL . 41.8 t -64.49 117.8 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.117 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.445 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 20.2 mmt -70.17 150.45 46.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.522 1.129 . . . . 74.33 111.039 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 32.5 p90 -77.16 -17.58 58.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.675 0.79 . . . . 74.15 111.737 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.29 119.08 22.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.994 0.517 . . . . 75.51 109.921 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -113.02 157.73 21.17 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.221 1.009 . . . . 74.34 110.163 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 47' ' ' GLU . 58.2 tp -59.68 -31.5 69.62 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.924 0.89 . . . . 73.21 112.33 -173.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.41 -17.54 64.76 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.662 0.785 . . . . 64.31 111.3 -173.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.01 132.13 50.96 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.067 0.547 . . . . 75.3 109.814 172.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.57 -20.03 60.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.401 0.68 . . . . 55.34 110.608 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -101.06 18.49 19.62 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.776 0.83 . . . . 75.03 110.91 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.82 121.19 83.83 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.547 -0.908 . . . . 65.43 108.547 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.88 -19.38 58.55 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.835 2.356 . . . . 61.3 114.107 -168.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.0 mtm -106.56 151.5 24.93 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.247 0.619 . . . . 73.5 110.424 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -74.06 167.34 21.72 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.689 0.796 . . . . 75.04 110.703 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' HA ' HD13 ' A' ' 38' ' ' LEU . 42.7 mt-10 -61.6 -42.36 98.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.953 0.901 . . . . 72.14 111.384 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 51.8 m -65.27 -54.69 25.45 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 123.886 0.742 . . . . 74.32 110.38 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.167 0.987 . . . . 75.12 111.663 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.98 -44.55 97.2 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.111 -0.95 . . . . 74.13 110.725 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -68.58 -29.59 68.16 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.741 0.416 . . . . 62.51 110.882 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 mm-40 -74.66 -29.2 61.15 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.183 0.593 . . . . 74.13 110.442 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -64.23 -44.85 90.59 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.898 -0.779 . . . . 73.45 108.898 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 7' ' ' ARG . 83.5 mt -64.38 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.468 -0.787 . . . . 65.51 111.034 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.16 -45.37 88.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.996 0.919 . . . . 73.21 110.238 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -60.74 -49.85 75.85 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.466 0.706 . . . . 75.5 110.185 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.48 HG23 HG22 ' A' ' 20' ' ' VAL . 63.5 t -58.96 -42.9 87.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 123.95 0.9 . . . . 74.41 110.618 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.55 77.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.016 0.926 . . . . 74.03 111.734 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -74.52 -28.67 61.07 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.094 0.871 . . . . 75.14 110.458 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.78 -36.05 62.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.948 0.499 . . . . 71.42 110.532 171.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.5 HD13 ' HG2' ' A' ' 1' ' ' MET . 76.1 mt -67.97 -28.58 67.57 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.454 0.645 . . . . 73.51 109.745 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -71.45 -51.11 25.57 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.11 1.364 . . . . 74.02 110.682 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.97 84.82 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.67 0.788 . . . . 75.44 111.899 -171.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.52 -25.2 26.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.876 -1.056 . . . . 72.31 111.139 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.77 31.98 28.21 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 111.645 -0.582 . . . . 73.25 111.645 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.412 ' O ' HG21 ' A' ' 70' ' ' VAL . . . -99.91 10.46 60.44 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 119.523 -0.598 . . . . 71.25 113.549 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.04 -60.58 3.06 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.543 0.737 . . . . 62.34 112.262 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.71 -30.64 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.112 0.965 . . . . 75.0 110.211 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.68 -44.69 90.32 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.712 0.805 . . . . 64.41 111.23 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 89' ' ' ILE . 72.6 t -63.45 -50.06 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.965 0.906 . . . . 74.35 110.506 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -61.13 -46.28 91.2 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.191 0.932 . . . . 74.12 111.694 -174.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.538 HG23 ' NE2' ' A' ' 76' ' ' GLN . 38.9 m -66.44 -42.46 87.64 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.266 0.979 . . . . 75.31 110.177 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -64.67 -50.12 68.27 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.343 0.402 . . . . 73.33 110.92 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.457 ' HA ' HG23 ' A' ' 77' ' ' THR . 40.7 mt -62.84 -38.23 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.648 0.779 . . . . 72.51 111.186 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.9 m -66.12 -33.25 75.35 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.297 0.639 . . . . 74.45 111.313 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' NE2' HG23 ' A' ' 72' ' ' THR . 48.1 mt-30 -83.49 -38.11 22.21 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.041 0.536 . . . . 74.22 112.318 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.457 HG23 ' HA ' ' A' ' 74' ' ' ILE . 11.4 t -75.82 134.56 40.34 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.152 0.501 . . . . 74.11 110.066 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -104.02 12.28 34.33 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.508 0.723 . . . . 73.11 110.52 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -83.81 167.59 16.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.228 1.011 . . . . 74.03 109.989 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -131.43 153.89 81.74 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 123.543 0.737 . . . . 74.23 109.983 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.446 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 8.1 Cg_exo -71.27 120.04 6.7 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.506 2.137 . . . . 72.43 109.928 168.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -131.73 163.12 28.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.125 0.97 . . . . 74.32 109.281 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.36 101.85 0.08 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.987 0.915 . . . . 75.31 112.007 -174.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.58 -28.31 15.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 115.671 -0.695 . . . . 62.41 111.972 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -103.03 103.83 13.95 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.897 0.879 . . . . 74.55 110.57 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.61 18.82 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.005 0.522 . . . . 63.24 109.843 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.1 95.46 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 108.719 -0.845 . . . . 74.1 108.719 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.8 t -77.34 109.77 11.52 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.134 -0.691 . . . . 73.5 109.134 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.505 HG23 ' HA ' ' A' ' 70' ' ' VAL . 66.3 mt -92.57 111.95 53.27 Favored Pre-proline 0 N--CA 1.468 0.467 0 C-N-CA 123.694 0.798 . . . . 61.53 109.708 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.89 115.36 3.39 Favored 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.082 1.855 . . . . 75.1 110.132 172.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' A' ' 29' ' ' ILE . 74.3 mt -98.69 109.24 22.03 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.638 -1.245 . . . . 72.15 107.638 172.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.1 94.05 1.48 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-O 121.334 0.588 . . . . 65.21 109.822 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.7 mt -107.09 35.88 2.88 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.957 -1.02 . . . . 75.41 108.418 166.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.1 -70.59 1.14 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 109.01 -1.636 . . . . 73.32 109.01 166.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -80.88 -41.73 22.63 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.331 0.652 . . . . 73.31 110.661 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -76.98 -10.35 59.3 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 112.4 0.519 . . . . 74.1 112.4 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.1 -26.26 27.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.785 0.434 . . . . 74.01 110.475 171.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.526 ' HA ' HD12 ' A' ' 101' ' ' ILE . 31.4 t -63.52 -9.54 13.56 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.033 0.753 . . . . 75.04 113.033 -174.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -57.63 -51.03 71.18 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.119 0.967 . . . . 74.42 111.175 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -78.51 -20.0 51.75 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 112.005 0.372 . . . . 73.52 112.005 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 98' ' ' SER . 2.4 mp -66.3 99.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.076 0 N-CA-C 108.353 -0.981 . . . . 71.41 108.353 174.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.9 mm -120.9 -36.74 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.733 0 N-CA-C 107.171 -1.418 . . . . 74.33 107.171 170.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.0 mt 61.3 77.92 0.31 Allowed 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.866 1.266 . . . . 73.32 110.637 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 124.401 1.081 . . . . 73.01 111.045 -172.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 tpp . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.292 -0.262 . . . . 74.34 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.4 p -116.43 176.01 5.3 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.743 1.217 . . . . 72.41 108.26 169.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.77 -23.99 63.89 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 111.85 -0.5 . . . . 74.01 111.85 172.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -68.64 -59.25 3.26 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.56 1.144 . . . . 74.43 110.303 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.51 -43.96 89.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.567 0.747 . . . . 73.24 111.56 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.548 HD22 HG23 ' A' ' 20' ' ' VAL . 52.1 tp -55.18 -50.51 69.16 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.901 1.28 . . . . 63.45 111.214 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.504 ' HB2' HD12 ' A' ' 54' ' ' LEU . 50.5 ttt180 -65.36 -40.93 94.18 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.88 0.738 . . . . 73.55 111.059 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -69.04 -20.78 64.12 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.591 -0.731 . . . . 74.02 110.884 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 tp -78.07 -34.76 50.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.286 0.634 . . . . 62.01 109.66 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.2 mt -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.642 0.777 . . . . 73.43 109.821 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD23 ' HG ' ' A' ' 17' ' ' SER . 81.5 mt -80.61 -33.52 35.82 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.528 1.131 . . . . 73.04 111.943 -178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.41 -44.32 71.62 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.216 0.606 . . . . 72.23 110.102 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -77.77 -65.04 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.499 -0.773 . . . . 72.44 110.792 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.472 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.5 m-90 -98.63 -35.35 10.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.987 0.515 . . . . 75.44 112.03 -169.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.81 9.14 54.95 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 113.753 0.261 . . . . 64.25 113.753 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -131.81 142.47 49.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.328 0.651 . . . . 70.3 109.32 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.445 ' HG ' HD23 ' A' ' 11' ' ' LEU . 37.5 m -84.34 91.43 7.78 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 109.236 -0.653 . . . . 61.2 109.236 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -87.45 150.03 24.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.211 0.604 . . . . 75.55 111.45 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.07 135.84 49.68 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.104 -0.702 . . . . 73.55 109.104 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.548 HG23 HD22 ' A' ' 6' ' ' LEU . 21.9 m -123.28 125.88 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 108.539 -0.911 . . . . 65.55 108.539 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -129.5 141.49 50.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.536 0.734 . . . . 73.3 110.374 -177.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.602 ' HB3' HD12 ' A' ' 29' ' ' ILE . 62.7 m-85 -75.24 152.82 38.27 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.395 -0.82 . . . . 74.23 111.465 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -148.33 118.79 7.39 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.5 -0.773 . . . . 74.02 109.13 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -98.63 104.3 16.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.041 0.536 . . . . 75.4 110.407 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -137.21 140.02 41.44 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.772 0.829 . . . . 71.04 109.398 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 64.93 24.81 12.72 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.52 1.128 . . . . 73.21 110.836 -173.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.25 7.75 57.74 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 116.168 -0.469 . . . . 75.24 113.59 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -99.95 174.95 5.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.194 0.998 . . . . 74.11 108.796 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 22' ' ' PHE . 10.7 tp -121.04 134.4 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 108.565 -0.902 . . . . 71.42 108.565 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -126.75 147.36 49.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.47 1.108 . . . . 75.45 108.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.7 tp -109.7 98.25 7.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.742 -0.836 . . . . 74.12 108.742 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -86.42 107.39 18.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 122.864 0.466 . . . . 75.33 110.024 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 22.5 t -72.63 103.29 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.156 -0.929 . . . . 64.03 108.511 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -63.26 161.21 14.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.355 1.062 . . . . 75.22 112.02 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -77.7 7.31 5.89 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.782 1.233 . . . . 75.01 112.181 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.46 101.88 13.26 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 124.166 0.986 . . . . 73.02 109.815 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -90.6 154.01 19.91 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.017 -0.734 . . . . 74.5 109.017 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 47' ' ' GLU . 49.4 tp -63.09 -17.92 62.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.507 0.723 . . . . 75.23 112.647 -174.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.66 -17.65 64.67 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.826 0.451 . . . . 72.11 111.922 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.3 136.21 49.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.04 0.536 . . . . 74.3 111.136 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.49 -16.47 54.23 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.761 0.824 . . . . 75.53 111.13 173.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 m -89.48 3.0 53.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.005 0.922 . . . . 71.13 111.626 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -62.35 128.24 90.97 Favored Pre-proline 0 CA--C 1.562 1.411 0 C-N-CA 123.705 0.802 . . . . 73.32 110.832 -174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 34.7 Cg_exo -62.26 -32.13 82.18 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.107 2.538 . . . . 73.35 114.009 -171.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 44' ' ' PRO . 3.5 mpp? -99.97 161.31 13.69 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.446 0.698 . . . . 74.14 109.868 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -80.28 -174.16 4.41 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.157 0.583 . . . . 73.33 109.851 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HA ' HD13 ' A' ' 38' ' ' LEU . 42.3 mt-10 -62.89 -57.86 9.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.77 0.428 . . . . 72.23 110.766 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.464 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 67.7 m -65.19 -47.03 78.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.767 0.427 . . . . 71.51 110.199 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -53.7 -35.68 61.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.442 0.697 . . . . 72.42 112.586 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -59.9 -47.29 86.38 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.887 0.475 . . . . 73.34 110.804 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -69.56 -30.93 68.83 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.942 0.497 . . . . 63.11 111.102 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.3 mm-40 -70.29 -33.6 71.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.938 0.495 . . . . 74.53 110.151 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.28 -43.05 87.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.028 0.931 . . . . 73.22 109.628 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' ' 7' ' ' ARG . 96.8 mt -63.73 -40.08 95.86 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.496 0.719 . . . . 74.11 111.082 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.86 -41.39 97.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.449 1.1 . . . . 72.22 110.541 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.8 t -69.1 -39.97 78.66 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.217 -0.901 . . . . 65.32 111.292 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 40.2 t -67.2 -45.83 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.681 0.792 . . . . 65.51 110.92 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.21 68.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.924 0.89 . . . . 74.33 111.966 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.47 -42.21 98.58 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 62.21 110.28 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -71.33 -36.98 71.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.83 0.452 . . . . 74.31 111.01 174.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.42 -36.69 81.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.761 0.315 . . . . 73.22 110.452 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -71.25 -53.38 14.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.74 0.816 . . . . 74.12 110.723 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.925 0.89 . . . . 74.34 112.437 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.2 mt -81.74 -26.98 34.09 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.173 0.989 . . . . 73.43 111.721 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.59 12.96 71.25 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.959 -0.456 . . . . 61.34 111.959 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.01 -3.9 88.44 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 119.86 -0.411 . . . . 73.31 113.169 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.86 78.13 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 74.33 111.635 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.01 -35.03 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 114.713 -1.131 . . . . 74.21 110.587 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.8 -39.86 95.57 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.237 0.615 . . . . 72.31 110.813 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' HA ' HG23 ' A' ' 89' ' ' ILE . 86.1 t -67.47 -47.48 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.915 0.886 . . . . 73.33 110.718 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -58.95 -49.5 77.62 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.363 1.039 . . . . 75.33 110.995 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.1 m -66.62 -44.52 81.83 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.096 0.872 . . . . 73.35 111.105 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.3 t80 -66.31 -54.36 25.66 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.58 0.55 . . . . 74.34 111.11 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -58.05 -38.96 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 124.053 0.846 . . . . 74.11 111.384 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -65.74 -47.95 73.56 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.406 0.683 . . . . 75.22 111.695 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.05 -38.03 64.11 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.313 0.645 . . . . 72.32 112.552 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -70.02 162.86 27.34 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 73.51 110.469 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -129.59 16.07 5.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.872 0.869 . . . . 73.34 109.808 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -89.09 137.63 32.14 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.539 0.736 . . . . 72.3 110.646 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.472 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 64.0 mtt85 -110.17 142.65 26.39 Favored Pre-proline 0 C--O 1.239 0.505 0 CA-C-N 114.421 -1.263 . . . . 72.53 109.528 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.42 118.05 4.9 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 122.493 2.129 . . . . 75.24 110.821 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -128.69 155.99 44.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.414 1.086 . . . . 74.13 109.34 -170.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.87 92.06 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.693 0.797 . . . . 74.52 112.055 -174.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -18.81 19.55 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.856 -0.611 . . . . 61.11 112.915 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.41 103.27 8.82 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.647 0.779 . . . . 72.54 110.246 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.41 164.21 21.15 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.865 0.866 . . . . 60.22 110.768 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.455 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.9 t -92.69 89.76 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 N-CA-C 108.269 -1.011 . . . . 62.13 108.269 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -78.56 100.06 6.78 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 115.895 -0.593 . . . . 72.43 109.656 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.445 HG23 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -81.69 115.9 59.79 Favored Pre-proline 0 N--CA 1.47 0.573 0 C-N-CA 123.871 0.868 . . . . 71.41 109.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.79 113.67 3.84 Favored 'Trans proline' 0 C--N 1.369 1.64 0 C-N-CA 121.73 1.62 . . . . 75.44 110.548 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.518 ' HB2' HG23 ' A' ' 29' ' ' ILE . 49.3 mt -86.81 92.47 8.98 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.711 -1.218 . . . . 72.43 107.711 174.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.75 96.11 0.71 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.841 -1.072 . . . . 72.14 109.34 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.711 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 35.1 mt -114.56 31.31 6.72 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.613 -0.721 . . . . 74.32 111.175 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.32 -50.38 56.36 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 111.443 -0.663 . . . . 63.53 111.443 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.99 -25.59 17.92 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.878 0.871 . . . . 73.33 110.452 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.711 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 1.3 mmp_? -73.05 -8.58 56.39 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.265 0.626 . . . . 74.51 112.186 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.09 -26.15 65.68 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.925 -0.485 . . . . 72.44 110.61 170.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m -68.56 -14.07 62.76 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 112.952 0.723 . . . . 73.45 112.952 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 96' ' ' ARG . 15.7 mm-40 -58.64 -49.29 78.07 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.156 0.503 . . . . 74.54 110.712 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 13.3 p-90 -102.73 -3.81 25.94 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.43 -0.804 . . . . 74.31 112.175 -174.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -95.27 111.23 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 108.115 -1.069 . . . . 75.42 108.115 168.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 46.3 mm -129.61 108.24 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 107.609 -1.256 . . . . 74.05 107.609 172.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.13 156.9 25.63 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.302 1.041 . . . . 73.34 109.11 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 123.374 0.67 . . . . 73.53 109.541 175.567 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttp . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.26 -0.645 . . . . 74.35 109.26 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 p -86.06 168.73 13.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.704 0.802 . . . . 73.11 110.753 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.18 -20.51 71.19 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 112.201 -0.36 . . . . 62.21 112.201 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.71 -54.22 14.82 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.123 0.969 . . . . 75.14 110.037 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.64 -40.4 91.84 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.513 0.725 . . . . 74.44 111.075 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 20' ' ' VAL . 37.7 tp -62.83 -41.77 99.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.91 0.884 . . . . 72.24 110.494 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.48 ' HB2' HD11 ' A' ' 54' ' ' LEU . 55.5 ttt180 -65.79 -44.73 84.85 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.136 0.574 . . . . 73.14 110.298 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -68.15 -22.15 64.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.221 1.008 . . . . 75.45 111.696 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 tp -74.75 -43.35 55.39 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.726 0.81 . . . . 72.42 109.787 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 33.0 mt -71.82 -33.97 68.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.158 -0.928 . . . . 75.14 110.394 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.69 -45.86 41.66 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.677 0.791 . . . . 64.12 111.663 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -58.54 -41.84 86.47 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.044 0.449 . . . . 71.52 110.429 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -77.21 -65.95 0.89 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.213 -0.903 . . . . 72.23 111.532 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -105.3 -10.99 16.69 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.129 0.788 . . . . 72.34 113.129 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.01 4.43 89.99 Favored Glycine 0 N--CA 1.474 1.21 0 N-CA-C 113.603 0.201 . . . . 71.42 113.603 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -139.92 138.39 35.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.105 0.962 . . . . 70.25 109.11 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -87.79 104.69 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.428 0.691 . . . . 63.0 109.61 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.8 159.95 14.97 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.836 0.854 . . . . 74.52 111.876 -176.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.71 120.26 15.19 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.741 -0.663 . . . . 74.11 109.455 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.644 HG23 HD21 ' A' ' 6' ' ' LEU . 12.8 m -103.99 126.02 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.092 -1.077 . . . . 74.54 108.092 174.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -137.53 138.23 39.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.966 0.412 . . . . 73.32 110.721 -173.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -72.74 136.6 45.54 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.348 -0.842 . . . . 75.13 110.224 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -143.82 116.35 8.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.473 -1.306 . . . . 75.35 107.473 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -107.21 146.69 31.09 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.137 0.575 . . . . 74.45 110.757 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -144.79 122.16 11.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.804 0.842 . . . . 73.21 109.196 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 63.39 23.49 13.75 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.904 1.281 . . . . 63.12 112.857 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 -7.42 54.52 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 120.204 -0.22 . . . . 73.42 113.463 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -100.28 146.83 26.45 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.737 0.815 . . . . 73.32 110.151 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.46 HG23 HD13 ' A' ' 93' ' ' LEU . 6.2 tp -112.55 133.97 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.472 0.709 . . . . 72.53 111.111 -177.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -131.46 120.78 23.48 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.268 1.427 . . . . 62.14 108.295 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 tp -89.72 101.88 14.57 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.01 -0.737 . . . . 72.13 109.01 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.34 114.8 24.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.166 0.587 . . . . 65.0 110.629 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.561 HG22 HG13 ' A' ' 20' ' ' VAL . 22.0 t -80.98 100.93 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.309 -0.997 . . . . 60.13 108.309 172.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.409 ' SD ' ' HB1' ' A' ' 86' ' ' ALA . 18.8 mmt -70.49 161.28 30.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.013 0.925 . . . . 71.03 112.658 -176.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -77.25 -3.33 39.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.832 1.253 . . . . 74.04 112.458 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.77 121.9 33.04 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.7 0.8 . . . . 75.25 109.222 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -120.92 160.01 24.36 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.357 1.063 . . . . 74.34 110.065 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 47' ' ' GLU . 41.5 tp -65.86 -23.73 66.72 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.679 0.792 . . . . 75.23 112.87 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.93 -9.16 50.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.184 0.447 . . . . 72.42 111.518 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -86.83 136.53 32.94 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.773 0.429 . . . . 73.11 110.476 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.96 -22.84 58.32 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.399 -0.819 . . . . 74.3 110.023 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 p -80.83 8.74 7.53 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.124 0.969 . . . . 73.41 112.151 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -71.56 129.1 89.06 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.617 0.767 . . . . 75.45 109.713 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.13 -2.41 12.27 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 123.032 2.488 . . . . 73.35 113.915 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.1 mtm -119.44 147.58 44.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.262 -0.644 . . . . 74.42 109.262 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.559 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -72.1 173.22 8.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.174 0.59 . . . . 71.24 109.902 173.634 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HA ' HD11 ' A' ' 38' ' ' LEU . 31.3 mt-10 -62.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.824 0.85 . . . . 72.24 111.281 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 59.8 m -72.71 -47.77 44.36 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.532 -0.758 . . . . 74.53 110.536 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.7 mm-40 -61.01 -30.15 70.13 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.179 0.592 . . . . 72.32 111.395 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.408 ' HD2' HD21 ' A' ' 38' ' ' LEU . 43.0 t80 -70.13 -44.72 68.31 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.453 0.701 . . . . 74.53 111.16 176.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.7 -35.24 79.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.831 0.348 . . . . 72.43 110.485 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.3 mm-40 -66.37 -36.88 83.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.878 -0.601 . . . . 72.44 110.522 174.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.5 -39.52 85.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.499 0.72 . . . . 75.13 110.976 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 7' ' ' ARG . 78.5 mt -61.44 -46.86 88.33 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.947 0.499 . . . . 65.22 110.785 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.25 -28.31 61.17 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.442 -0.799 . . . . 72.21 110.869 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -67.88 -49.58 61.22 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.171 0.588 . . . . 62.41 110.289 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 48.7 t -62.35 -45.81 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.042 -0.981 . . . . 64.34 110.025 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -21.79 63.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.299 0.64 . . . . 71.22 112.005 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -72.97 -36.37 67.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.307 0.643 . . . . 73.25 109.939 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.66 -36.02 67.85 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.205 0.202 . . . . 74.14 110.864 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.7 mt -66.6 -32.03 73.11 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.206 0.526 . . . . 72.22 109.984 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -68.41 -45.35 72.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.529 1.132 . . . . 75.01 110.729 171.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.93 57.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.821 0.848 . . . . 74.03 112.575 -172.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.553 ' HB3' HD12 ' A' ' 93' ' ' LEU . 91.6 mt -103.6 -19.21 14.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.314 0.646 . . . . 73.15 111.21 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.77 8.68 61.85 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 123.332 0.395 . . . . 64.2 113.3 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.81 -6.13 88.54 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-O 119.516 -0.602 . . . . 72.24 113.706 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.77 43.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.28 1.032 . . . . 75.03 112.834 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.76 -31.61 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.291 -0.868 . . . . 74.3 110.118 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -67.68 -37.53 82.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.493 0.717 . . . . 74.22 111.245 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.73 -42.92 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.977 0.911 . . . . 71.34 110.185 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -64.35 -42.38 96.26 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.496 -0.775 . . . . 75.23 111.094 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -62.88 -46.34 88.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.89 0.876 . . . . 64.11 110.307 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' CD2' HG12 ' A' ' 89' ' ' ILE . 60.0 t80 -68.67 -57.53 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.572 -0.74 . . . . 73.1 111.098 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.1 mt -59.24 -38.28 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.676 0.79 . . . . 74.44 111.987 -174.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 m -69.04 -46.18 68.54 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.835 0.454 . . . . 70.32 111.355 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -82.16 -33.66 29.43 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.616 0.598 . . . . 74.33 112.616 -173.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.5 t -72.28 157.21 38.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.94 0.496 . . . . 75.02 109.676 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -117.37 10.59 13.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.283 0.633 . . . . 74.11 110.83 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.75 142.56 54.92 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.591 0.757 . . . . 74.2 110.288 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -111.08 148.3 38.38 Favored Pre-proline 0 N--CA 1.471 0.62 0 N-CA-C 109.358 -0.608 . . . . 73.34 109.358 169.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.33 120.35 8.06 Favored 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.613 2.209 . . . . 71.3 110.551 168.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -122.16 154.83 36.9 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.383 1.073 . . . . 75.42 108.864 -171.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.71 107.08 0.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.949 0.5 . . . . 75.34 110.534 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.66 -19.48 54.22 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 119.831 -0.427 . . . . 75.43 113.045 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -122.5 110.44 15.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.265 0.626 . . . . 70.54 110.527 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HB1' ' SD ' ' A' ' 34' ' ' MET . . . -83.01 163.53 20.92 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.257 0.623 . . . . 74.13 110.554 171.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 47.4 t -85.57 90.36 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 108.138 -1.06 . . . . 64.02 108.138 173.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -78.23 105.36 9.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.711 0.804 . . . . 74.01 110.025 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.426 HG12 ' CD2' ' A' ' 73' ' ' PHE . 60.8 mt -86.77 108.53 18.71 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 124.186 0.994 . . . . 75.21 109.354 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.49 111.52 3.24 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.684 1.589 . . . . 72.21 109.461 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.448 ' HB2' HG21 ' A' ' 29' ' ' ILE . 92.0 mt -82.95 108.88 16.59 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.652 -0.499 . . . . 64.33 109.652 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.45 86.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.175 0.99 . . . . 64.32 108.802 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.553 HD12 ' HB3' ' A' ' 64' ' ' LEU . 68.5 mt -121.82 27.54 8.08 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.455 0.702 . . . . 74.12 110.982 -174.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.28 -51.51 43.2 Favored Glycine 0 C--N 1.346 1.117 0 N-CA-C 111.485 -0.646 . . . . 72.2 111.485 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.74 -46.24 66.33 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.854 0.862 . . . . 74.11 110.405 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -71.93 -35.59 69.67 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.417 -0.811 . . . . 73.43 112.792 -168.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.99 -38.06 64.25 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.389 -0.597 . . . . 71.54 109.389 173.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -61.01 -16.3 41.79 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.074 0.549 . . . . 74.44 112.428 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.46 -43.47 96.87 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.232 0.613 . . . . 65.2 111.196 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -89.94 -21.71 22.32 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 119.219 -0.419 . . . . 73.25 111.332 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.3 mp -67.87 105.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.152 0 N-CA-C 108.549 -0.908 . . . . 73.31 108.549 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 44.1 mm -113.08 97.61 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.347 1.059 . . . . 63.14 108.33 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.8 mt -132.71 119.85 20.92 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.941 1.296 . . . . 73.34 107.734 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.56 1.333 0 CA-C-O 118.619 -0.705 . . . . 72.31 111.273 -175.717 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . 58.9 ttp . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.71 -0.478 . . . . 72.52 109.71 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.0 p -87.86 -178.48 6.04 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.396 1.078 . . . . 75.11 109.776 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.3 73.02 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.165 0.291 . . . . 51.41 112.464 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.61 -54.46 35.46 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.178 0.991 . . . . 61.11 109.364 171.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.44 -27.64 66.36 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.138 0.975 . . . . 71.33 111.947 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.561 HD21 HG23 ' A' ' 20' ' ' VAL . 56.2 tp -71.82 -44.09 64.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.396 -0.594 . . . . 70.31 109.396 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.566 ' HB2' HD12 ' A' ' 54' ' ' LEU . 55.9 ttt180 -62.52 -42.71 99.7 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.787 0.679 . . . . 74.12 110.376 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -59.46 -40.74 87.83 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.117 -0.947 . . . . 74.22 110.604 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -29.7 70.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.982 0.513 . . . . 72.44 111.39 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 26.5 mt -79.82 -34.81 39.17 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.654 0.781 . . . . 71.41 110.638 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.27 -52.78 8.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.005 0.922 . . . . 75.1 111.229 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.59 -36.57 64.55 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.457 1.103 . . . . 74.11 112.031 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -81.63 -65.65 0.99 Allowed 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.264 0.352 . . . . 75.21 111.265 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -101.87 -33.9 9.6 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.468 0.707 . . . . 73.03 112.33 -168.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.04 41.38 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.16 -0.244 . . . . 71.45 113.527 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -135.54 141.31 45.2 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.295 0.638 . . . . 74.44 109.739 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 p -82.98 78.99 9.47 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.792 0.837 . . . . 73.15 109.687 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -72.22 156.53 39.04 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.599 0.714 . . . . 74.55 112.793 -175.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.23 142.68 36.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 107.854 -1.165 . . . . 64.34 107.854 167.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG23 HD21 ' A' ' 6' ' ' LEU . 5.3 m -119.97 125.6 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.647 -0.872 . . . . 73.24 108.647 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.42 125.89 45.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.929 0.892 . . . . 75.11 109.819 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' HB3' HD12 ' A' ' 29' ' ' ILE . 65.3 m-85 -69.61 149.92 47.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.489 0.715 . . . . 74.21 110.223 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -142.13 114.7 8.46 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.468 0.707 . . . . 74.53 109.196 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -107.64 110.07 21.85 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.778 0.831 . . . . 75.2 109.571 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -144.63 139.93 28.37 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.248 1.019 . . . . 72.43 109.014 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 64.38 20.1 12.04 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.598 1.159 . . . . 65.42 111.011 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.35 83.24 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 116.267 -0.424 . . . . 61.22 113.377 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -102.9 160.96 14.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.513 1.125 . . . . 72.13 109.778 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 HG22 ' HB2' ' A' ' 91' ' ' LEU . 7.4 tp -118.04 133.92 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.54 0.686 . . . . 72.53 110.428 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -131.34 123.27 27.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.132 1.373 . . . . 74.0 107.793 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -90.28 97.65 11.31 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.024 -0.732 . . . . 75.24 109.024 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -87.81 102.18 14.42 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.743 0.817 . . . . 72.53 110.274 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 51.7 t -66.96 113.83 3.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.509 -0.769 . . . . 74.11 109.224 175.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmt -70.17 156.39 39.29 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.355 1.062 . . . . 74.53 111.379 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.2 p90 -77.13 -8.11 56.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.473 1.109 . . . . 75.32 111.786 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -81.21 136.24 35.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.261 1.024 . . . . 73.21 108.803 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -135.25 157.93 45.65 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.287 0.635 . . . . 75.41 110.057 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD21 ' CD2' ' A' ' 50' ' ' TYR . 40.5 tp -65.31 -19.99 66.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.846 0.859 . . . . 71.05 112.149 -171.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -68.9 -23.69 64.22 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 122.329 0.252 . . . . 75.4 111.071 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -73.78 131.04 41.15 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.259 0.624 . . . . 74.24 110.503 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.66 63.64 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.943 0.897 . . . . 75.44 110.829 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 m -79.58 6.87 9.44 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.239 1.016 . . . . 71.13 112.51 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -70.48 124.1 90.24 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.325 0.65 . . . . 74.32 109.585 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -82.09 4.92 6.68 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 123.145 2.563 . . . . 73.43 114.187 -170.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.7 mtm -121.87 154.75 36.67 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.876 -0.787 . . . . 72.13 108.876 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.679 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 1.6 m-20 -68.6 167.46 15.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.172 -0.677 . . . . 74.13 109.172 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.37 -38.14 89.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.127 -0.488 . . . . 73.11 110.099 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 17.3 m -62.17 -51.88 66.04 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 123.599 0.562 . . . . 75.44 109.764 173.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.2 mm-40 -59.82 -32.74 70.94 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.722 0.809 . . . . 73.5 111.699 -176.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.479 ' CD2' HD21 ' A' ' 38' ' ' LEU . 39.9 t80 -65.02 -47.69 76.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.785 0.834 . . . . 73.24 110.635 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -70.39 -34.35 72.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.569 0.347 . . . . 75.52 110.492 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 48' ' ' THR . 16.6 mm-40 -62.32 -43.56 98.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.669 0.788 . . . . 73.23 109.784 173.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.05 -44.42 96.72 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.579 1.174 . . . . 74.14 110.512 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 7' ' ' ARG . 88.6 mt -60.43 -49.22 78.42 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.855 0.722 . . . . 73.22 111.125 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -71.09 -28.65 64.49 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.063 0.852 . . . . 75.03 110.404 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 t -70.84 -40.32 72.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.417 0.687 . . . . 74.43 110.026 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 37.9 t -67.66 -49.95 65.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 123.722 0.809 . . . . 63.34 110.281 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -69.45 -27.07 64.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.754 0.822 . . . . 65.33 111.639 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.08 -41.01 74.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.796 0.838 . . . . 51.53 109.861 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -40.36 89.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.346 1.059 . . . . 74.3 109.741 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 94.8 mt -65.32 -39.95 93.09 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.06 0.944 . . . . 74.02 110.073 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.81 -39.49 93.67 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.247 1.019 . . . . 75.44 110.703 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.89 90.4 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.434 0.694 . . . . 70.41 110.691 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.05 -27.9 60.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.906 0.882 . . . . 74.12 112.011 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.4 2.79 84.95 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 116.46 -0.336 . . . . 71.23 112.266 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.62 2.31 88.14 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 119.673 -0.515 . . . . 74.55 113.25 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.317 0.647 . . . . 72.51 110.836 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.39 -34.6 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.907 0.883 . . . . 74.53 110.142 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.48 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 17.2 mm-40 -68.39 -36.32 78.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.106 0.563 . . . . 74.34 111.771 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.45 ' HA ' HG21 ' A' ' 89' ' ' ILE . 80.9 t -65.14 -44.94 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 123.831 0.707 . . . . 75.24 110.172 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 8.6 mtpm? -65.09 -51.6 60.44 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.228 -0.896 . . . . 75.0 111.264 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -61.82 -40.26 94.63 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.6 1.16 . . . . 74.11 111.29 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CD2' HG12 ' A' ' 89' ' ' ILE . 66.6 t80 -66.99 -61.37 1.97 Allowed 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.226 0.611 . . . . 74.4 110.084 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mt -55.49 -43.42 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 124.275 1.03 . . . . 73.41 112.117 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -57.51 -53.42 58.39 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.459 0.704 . . . . 71.43 111.701 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -77.76 -41.69 36.66 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.067 -0.515 . . . . 74.15 111.975 -171.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.5 t -72.95 148.57 44.16 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.8 0.44 . . . . 75.34 110.265 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -106.97 14.86 25.98 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.246 0.618 . . . . 72.15 110.591 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.55 122.23 17.11 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 123.233 0.613 . . . . 74.32 110.251 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -108.36 133.12 20.69 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 124.383 1.073 . . . . 75.2 108.95 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.22 122.89 12.31 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.41 2.74 . . . . 74.13 111.832 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 39.0 ttm180 -131.22 155.74 46.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.118 1.367 . . . . 75.23 108.789 -171.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.02 104.29 0.55 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.348 0.659 . . . . 75.34 110.202 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.9 -10.16 58.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 115.763 -0.653 . . . . 71.25 113.364 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 7.7 tmtm? -124.2 103.9 8.52 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.96 0.904 . . . . 72.14 108.742 177.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 148.72 24.7 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.541 0.737 . . . . 72.2 109.669 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.533 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.1 t -78.96 89.18 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.761 -1.199 . . . . 74.45 107.761 172.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 t -78.44 93.4 4.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.638 -1.165 . . . . 72.13 109.059 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.45 HG21 ' HA ' ' A' ' 70' ' ' VAL . 56.7 mt -77.43 110.86 13.87 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.043 -0.98 . . . . 72.34 108.946 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.38 112.99 3.66 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 121.351 1.367 . . . . 74.45 109.989 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HB2' HG22 ' A' ' 29' ' ' ILE . 61.2 mt -77.23 91.03 3.73 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.338 -0.986 . . . . 75.42 108.338 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.48 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 12.1 t70 -70.47 99.99 1.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.439 -1.255 . . . . 73.43 108.67 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.651 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 90.1 mt -125.19 15.44 8.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.025 -0.989 . . . . 74.34 110.89 -173.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.19 -58.51 9.46 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 111.415 -0.674 . . . . 72.52 111.415 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -88.63 -23.55 23.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.113 0.565 . . . . 74.41 110.224 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.651 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 75.9 mtt-85 -70.74 -13.09 61.93 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.974 0.51 . . . . 72.21 112.269 177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.05 73.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.949 0.499 . . . . 72.33 110.747 173.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 t -80.32 -9.55 59.74 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.212 0.605 . . . . 75.31 111.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.42 ' HG3' ' HA ' ' A' ' 96' ' ' ARG . 43.7 mt-10 -78.58 -36.04 45.0 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.638 0.375 . . . . 72.31 111.592 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -96.09 -6.5 38.39 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 122.211 0.204 . . . . 64.21 110.958 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -89.97 102.63 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 106.652 -1.61 . . . . 74.2 106.652 162.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.4 mm -103.79 100.15 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 109.119 -0.697 . . . . 74.5 109.119 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.4 mt -117.0 150.34 38.76 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.773 0.829 . . . . 74.34 110.075 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 CA--C 1.554 1.116 0 C-N-CA 124.825 1.25 . . . . 74.32 109.092 -179.444 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 tpp . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 109.782 -0.451 . . . . 74.12 109.782 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p -100.62 164.67 11.77 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.155 -1.054 . . . . 73.54 108.155 168.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.62 -30.98 69.81 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 123.037 0.21 . . . . 72.11 112.729 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -59.5 -56.07 26.57 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.883 0.873 . . . . 71.55 110.555 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.31 -34.13 77.03 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.678 0.791 . . . . 72.53 111.781 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG23 ' A' ' 20' ' ' VAL . 39.8 tp -65.67 -44.03 87.54 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.715 0.634 . . . . 73.43 109.848 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.573 ' HB2' HD13 ' A' ' 54' ' ' LEU . 61.5 ttt180 -65.67 -41.48 92.41 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.214 0.606 . . . . 75.45 110.342 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -69.52 -22.05 63.62 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 72.22 111.207 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.99 -37.09 55.84 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.696 -0.483 . . . . 74.42 109.696 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 43.9 mt -76.47 -33.88 58.7 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.749 0.82 . . . . 75.22 110.545 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.75 -43.84 35.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.949 0.9 . . . . 62.35 111.428 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.35 -34.56 78.24 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.483 0.313 . . . . 74.22 110.764 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -81.68 -66.57 0.87 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.176 -0.466 . . . . 74.34 111.01 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.455 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.4 m-90 -102.68 -11.99 18.0 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.944 0.72 . . . . 74.32 112.944 -169.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.87 -1.61 87.92 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 113.707 0.243 . . . . 63.24 113.707 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -132.22 134.53 45.44 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.038 0.935 . . . . 73.21 109.58 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -85.73 93.94 8.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.213 0.605 . . . . 73.52 109.665 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 98.0 m-85 -82.72 160.42 22.36 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.331 0.652 . . . . 74.31 112.55 -176.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.14 140.54 41.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.759 -1.109 . . . . 70.02 108.29 169.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.512 HG23 HD21 ' A' ' 6' ' ' LEU . 8.8 m -128.76 125.46 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.509 -0.923 . . . . 63.53 108.509 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -116.84 148.46 41.22 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.519 . . . . 72.31 109.983 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' HB3' HD11 ' A' ' 29' ' ' ILE . 45.2 m-85 -86.05 121.39 28.6 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 109.755 -0.461 . . . . 73.11 109.755 173.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.618 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 31.7 tpt180 -99.82 111.61 23.92 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.342 -0.985 . . . . 75.25 108.342 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.44 95.82 6.09 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.587 -1.264 . . . . 74.03 107.587 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 139.59 34.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.868 0.467 . . . . 74.44 109.886 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 63.53 27.84 15.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.081 1.352 . . . . 64.11 111.216 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.1 -3.36 71.66 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 115.78 -0.645 . . . . 74.14 113.677 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -101.05 163.21 12.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.29 1.036 . . . . 74.33 110.736 -171.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.436 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.8 tp -116.96 133.14 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-O 121.629 0.728 . . . . 74.04 109.994 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.618 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 59.5 m-85 -130.19 163.54 26.46 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 124.91 1.284 . . . . 75.25 108.135 177.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 tp -128.07 98.34 5.08 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.24 -0.652 . . . . 74.23 109.24 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -87.52 105.34 17.25 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.092 0.557 . . . . 74.13 110.412 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 46.6 t -68.74 103.42 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 N-CA-C 108.789 -0.819 . . . . 74.05 108.789 173.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.469 ' HA ' ' HE2' ' A' ' 34' ' ' MET . 8.5 mmt -64.36 156.1 30.27 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.166 0.986 . . . . 75.43 111.51 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 44.4 p90 -77.39 -14.04 59.8 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.817 0.847 . . . . 74.21 111.638 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -78.28 110.0 12.91 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.098 0.559 . . . . 75.01 109.585 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 18.4 p90 -100.47 158.42 15.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.977 0.511 . . . . 73.35 110.195 173.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD22 ' HG2' ' A' ' 47' ' ' GLU . 53.9 tp -62.16 -26.95 68.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.972 0.909 . . . . 74.12 112.529 -171.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 35.3 tt0 -64.86 -23.73 67.32 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.39 0.676 . . . . 71.24 111.544 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.06 129.44 39.9 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.348 0.659 . . . . 74.31 110.415 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.39 62.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.958 0.903 . . . . 74.1 111.671 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -85.48 5.46 31.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.223 1.009 . . . . 74.3 111.825 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -68.62 123.54 88.0 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 122.873 0.469 . . . . 74.13 109.948 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.43 3.01 5.67 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.045 2.497 . . . . 73.44 114.701 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.58 157.22 42.68 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.039 0.935 . . . . 74.04 109.916 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -79.82 177.21 9.06 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.701 0.8 . . . . 72.51 109.882 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' HG2' HD22 ' A' ' 38' ' ' LEU . 45.8 mt-10 -64.79 -41.25 95.96 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.105 0.562 . . . . 70.41 111.731 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 m -72.33 -41.81 66.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.826 0.451 . . . . 74.23 110.69 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.62 -36.49 82.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.973 0.509 . . . . 73.2 110.858 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' CD2' HD21 ' A' ' 38' ' ' LEU . 35.7 t80 -68.31 -39.94 81.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.089 0.955 . . . . 75.43 110.664 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -76.66 -31.16 57.14 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 122.267 0.227 . . . . 64.22 110.587 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.47 -35.58 80.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.139 0.575 . . . . 64.41 110.4 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.78 -46.52 78.43 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.233 -0.894 . . . . 70.55 109.966 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 7' ' ' ARG . 86.5 mt -60.53 -46.5 89.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 75.42 110.864 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.93 -32.71 69.71 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.949 0.781 . . . . 75.32 111.358 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.3 t -67.99 -46.42 71.37 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.065 0.546 . . . . 73.4 110.188 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.4 t -59.64 -45.81 93.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 O-C-N 124.051 0.844 . . . . 70.3 109.865 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.38 73.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.475 1.11 . . . . 63.22 111.764 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.26 -39.71 86.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.276 1.03 . . . . 65.35 109.724 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -72.28 -35.25 68.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.425 0.69 . . . . 75.44 111.447 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 74.7 mt -63.84 -42.95 97.49 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.565 -0.532 . . . . 75.24 109.565 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -67.08 -46.05 75.46 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.429 -0.805 . . . . 74.43 110.567 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.49 81.47 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.747 0.819 . . . . 74.41 111.772 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -82.52 -19.8 37.97 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.173 -0.921 . . . . 75.32 111.189 -176.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.73 4.99 67.02 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 123.068 0.366 . . . . 52.14 113.036 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.22 3.59 85.67 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 119.343 -0.698 . . . . 74.42 114.072 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -60.57 -49.24 78.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.666 0.786 . . . . 72.13 111.825 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.93 -34.29 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 115.041 -0.981 . . . . 73.03 109.822 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -63.97 -39.01 93.17 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.533 0.733 . . . . 75.14 111.955 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.59 -45.91 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.585 0.754 . . . . 74.23 109.921 175.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -59.07 -52.17 66.89 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.07 0.856 . . . . 73.14 111.009 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.3 m -60.28 -40.61 91.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.513 1.125 . . . . 64.11 110.768 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.27 -54.45 24.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.53 -0.759 . . . . 72.12 109.979 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.455 ' HA ' HG22 ' A' ' 77' ' ' THR . 42.9 mt -63.77 -33.3 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.82 0.848 . . . . 75.24 111.652 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.2 m -66.1 -44.15 85.2 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.327 0.651 . . . . 75.1 110.356 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -84.61 -28.39 26.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.048 0.539 . . . . 74.03 112.397 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.9 t -73.02 148.45 44.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.394 0.616 . . . . 74.04 111.189 -172.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.23 4.1 17.57 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.858 -1.065 . . . . 71.2 109.726 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -83.31 143.6 30.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.459 0.703 . . . . 63.31 110.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.455 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 14.2 mtp180 -116.07 143.79 31.6 Favored Pre-proline 0 C--O 1.242 0.674 0 C-N-CA 124.502 1.121 . . . . 75.03 109.614 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.09 118.04 5.37 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.284 1.989 . . . . 70.22 110.778 172.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -122.62 165.14 16.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.645 0.778 . . . . 75.52 109.111 -176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.8 tp -54.62 106.36 0.21 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.532 0.733 . . . . 72.34 111.052 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.78 -28.33 12.57 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.479 -0.782 . . . . 74.04 112.748 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -114.44 119.37 36.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.696 0.799 . . . . 70.14 111.041 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.99 159.08 15.19 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.797 0.839 . . . . 71.32 110.349 171.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.5 t -90.79 89.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 108.067 -1.086 . . . . 64.25 108.067 171.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -77.25 100.47 5.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.963 0.905 . . . . 74.34 109.771 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -85.96 111.43 38.02 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.261 1.024 . . . . 70.41 109.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.41 115.53 4.26 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.298 1.998 . . . . 74.23 111.336 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.0 mt -84.43 96.96 9.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.149 -0.686 . . . . 73.44 109.149 177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.13 93.5 3.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.357 -0.838 . . . . 74.41 109.725 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.5 mt -118.48 26.62 9.47 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.691 -0.686 . . . . 70.3 111.171 -172.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.11 -100.77 0.04 OUTLIER Glycine 0 C--N 1.347 1.166 0 CA-C-O 120.016 -0.324 . . . . 73.23 112.316 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.39 -37.82 84.8 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.012 0.925 . . . . 75.31 111.243 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -59.71 -38.95 83.01 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.929 0.768 . . . . 74.53 112.556 -173.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.95 -24.55 67.06 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.269 0.47 . . . . 62.41 112.269 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.1 t -69.06 -7.88 39.96 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 112.667 0.617 . . . . 64.1 112.667 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.86 -35.76 71.41 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.312 0.645 . . . . 73.34 111.484 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -103.96 -3.26 24.93 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 112.331 0.493 . . . . 74.13 112.331 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.08 96.88 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 107.5 -1.296 . . . . 75.33 107.5 167.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mm -104.99 101.41 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.843 0.857 . . . . 74.34 109.339 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.62 149.1 41.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.014 0.925 . . . . 73.32 109.517 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 108.756 -0.831 . . . . 74.33 108.756 -179.658 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.592 ' SD ' ' HB2' ' A' ' 67' ' ' ALA . 28.3 ttt . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 108.831 -0.803 . . . . 75.32 108.831 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 p -80.69 176.54 9.71 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 123.884 0.874 . . . . 74.35 110.459 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -25.24 70.57 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.983 -0.553 . . . . 73.41 112.711 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -61.18 -47.65 85.19 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.898 0.879 . . . . 70.23 110.644 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.19 -38.51 88.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.783 0.433 . . . . 73.15 111.257 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.697 HD22 HG21 ' A' ' 20' ' ' VAL . 44.3 tp -64.07 -43.85 94.21 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.139 -0.937 . . . . 72.24 110.366 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -67.06 -41.85 85.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.894 0.878 . . . . 74.23 110.973 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.474 ' NE2' HD11 ' A' ' 11' ' ' LEU . 24.3 mm-40 -66.77 -22.98 66.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.788 0.835 . . . . 74.32 110.936 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.09 -36.76 55.49 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.946 0.898 . . . . 72.51 110.411 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 28.0 mt -71.76 -38.11 70.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.291 0.636 . . . . 75.13 109.873 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.474 HD11 ' NE2' ' A' ' 8' ' ' GLN . 96.2 mt -74.45 -37.2 63.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.866 0.866 . . . . 73.13 110.901 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.65 -56.01 21.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.437 1.095 . . . . 64.33 110.454 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HZ1' ' HB2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -84.86 -58.95 2.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.43 -1.259 . . . . 72.53 111.823 -169.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.496 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.5 m0 -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.504 0.557 . . . . 73.32 112.504 -168.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.36 4.57 85.97 Favored Glycine 0 C--N 1.348 1.247 0 N-CA-C 114.507 0.563 . . . . 44.1 114.507 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.424 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.8 m-85 -132.25 145.15 51.11 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.964 0.505 . . . . 74.55 109.931 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.6 p -83.62 80.83 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.231 -0.895 . . . . 73.41 109.791 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 84.1 m-85 -77.57 147.98 35.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.19 0.596 . . . . 73.5 111.99 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.27 141.88 48.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.713 -0.847 . . . . 71.41 108.713 169.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.697 HG21 HD22 ' A' ' 6' ' ' LEU . 17.0 m -129.07 127.19 65.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.422 -0.955 . . . . 63.24 108.422 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -129.94 143.24 50.7 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.992 0.517 . . . . 73.35 110.142 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.8 m-85 -77.59 152.65 33.85 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.216 -0.902 . . . . 74.24 111.555 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -143.04 120.85 11.92 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.313 -0.858 . . . . 74.32 108.704 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -115.45 107.52 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.789 0.836 . . . . 75.45 108.832 -170.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -144.24 137.99 27.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.52 0.728 . . . . 54.22 109.878 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 59.76 29.36 18.92 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.615 1.166 . . . . 73.0 111.567 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.34 4.57 84.4 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 116.338 -0.392 . . . . 65.31 113.589 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -104.24 160.08 15.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.292 1.037 . . . . 73.44 110.131 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.564 HD11 ' HB3' ' A' ' 22' ' ' PHE . 11.1 tp -122.43 136.66 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 109.549 -0.537 . . . . 72.2 109.549 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.62 124.14 27.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.273 1.029 . . . . 74.23 108.742 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -91.49 98.44 11.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.588 -0.893 . . . . 71.24 108.588 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -87.26 111.89 21.48 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 110.134 -0.321 . . . . 73.01 110.134 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 55.5 t -69.72 112.31 4.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 123.871 0.869 . . . . 75.22 109.49 173.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 36.7 mmt -71.68 156.74 39.02 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.776 0.798 . . . . 73.12 111.347 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -76.6 -14.96 59.95 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.937 1.695 . . . . 75.41 110.825 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -73.33 107.9 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.854 0.862 . . . . 73.0 109.025 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -108.68 153.89 22.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.674 0.39 . . . . 75.3 110.157 172.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.99 -25.36 65.19 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.418 1.074 . . . . 62.42 112.642 -171.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.46 -3.64 28.79 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.684 0.794 . . . . 51.43 112.447 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.46 138.7 32.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.426 0.69 . . . . 65.42 109.654 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.3 62.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.736 0.815 . . . . 73.42 110.928 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.2 p -69.19 -15.06 63.31 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.346 1.058 . . . . 72.32 112.676 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.39 125.79 85.02 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 124.158 0.983 . . . . 75.32 110.602 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -82.08 2.78 8.3 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.919 2.412 . . . . 72.34 114.721 -165.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.5 mtm -123.0 154.9 37.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.308 0.643 . . . . 75.41 110.4 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -77.39 170.33 16.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.63 0.772 . . . . 64.11 109.956 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.49 -61.46 2.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.965 0.906 . . . . 74.14 112.684 -170.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.413 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 14.3 m -65.97 -36.6 83.78 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.693 0.797 . . . . 74.34 110.839 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.24 -31.09 70.33 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.054 0.541 . . . . 72.13 111.31 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' CZ ' HD13 ' A' ' 54' ' ' LEU . 15.9 t80 -66.6 -37.99 86.07 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.247 0.619 . . . . 74.32 110.321 170.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -67.12 -38.67 85.99 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.107 0.563 . . . . 74.52 110.537 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' THR . 17.0 mm-40 -70.48 -30.65 67.51 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.972 0.509 . . . . 75.54 110.746 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -64.05 -48.34 76.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.501 0.72 . . . . 73.14 110.254 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 73.0 mt -61.89 -38.06 86.9 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.625 0.578 . . . . 75.11 110.804 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.22 -29.36 62.75 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.911 -1.04 . . . . 73.02 110.617 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 t -70.28 -43.05 71.24 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.859 0.864 . . . . 73.52 110.182 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.7 t -61.24 -47.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 114.995 -1.002 . . . . 63.43 109.891 176.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.0 -24.13 62.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.737 0.815 . . . . 73.41 111.878 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.09 -44.27 84.87 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.518 0.727 . . . . 71.5 109.662 172.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.06 -40.15 94.31 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.341 -0.845 . . . . 75.11 110.842 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.4 mt -62.59 -39.31 93.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.886 0.474 . . . . 73.21 110.644 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.87 -49.45 70.47 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.394 0.677 . . . . 75.21 110.56 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.47 97.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.435 0.694 . . . . 72.14 112.286 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.78 -18.04 48.91 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.422 -0.808 . . . . 74.22 111.637 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.84 85.9 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 112.139 -0.385 . . . . 75.12 112.139 -168.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.45 -2.91 88.43 Favored Glycine 0 C--N 1.352 1.456 0 CA-C-O 119.464 -0.631 . . . . 71.03 113.068 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.592 ' HB2' ' SD ' ' A' ' 1' ' ' MET . . . -62.82 -49.0 76.65 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.59 0.756 . . . . 74.55 110.984 177.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.67 -30.68 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 114.911 -1.04 . . . . 73.43 110.487 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -66.57 -45.57 78.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.018 0.527 . . . . 73.53 110.725 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' HA ' HG22 ' A' ' 89' ' ' ILE . 88.9 t -66.69 -45.07 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.493 0.717 . . . . 75.31 110.939 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 9.6 mtpm? -62.04 -54.19 44.92 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.66 -0.7 . . . . 74.44 110.906 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -58.75 -43.24 90.23 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.92 0.888 . . . . 73.45 111.556 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.59 -59.67 4.32 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.495 0.497 . . . . 74.43 110.519 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.53 ' HA ' HG22 ' A' ' 77' ' ' THR . 52.7 mt -62.65 -37.14 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.476 0.71 . . . . 75.44 111.365 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -65.52 -38.16 88.85 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.327 0.651 . . . . 74.34 111.77 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -95.8 -10.41 29.12 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.47 0.545 . . . . 74.53 112.47 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 74' ' ' ILE . 5.9 t -97.45 157.67 15.88 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.591 0.632 . . . . 73.45 109.603 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -127.93 27.86 5.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.48 1.112 . . . . 72.43 108.229 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -99.03 125.14 44.44 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.62 0.768 . . . . 73.42 110.634 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.496 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 67.7 mtp180 -100.34 146.13 31.45 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.268 -0.878 . . . . 74.25 110.65 -177.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.53 141.12 41.31 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.551 2.167 . . . . 73.41 111.476 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 2.9 tmt_? -136.22 162.09 33.93 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.821 1.248 . . . . 75.43 108.089 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.54 104.01 0.1 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.496 0.718 . . . . 74.33 111.425 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.4 -34.28 5.68 Favored Glycine 0 N--CA 1.473 1.158 0 CA-C-N 115.685 -0.689 . . . . 74.25 112.284 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 23.4 tptm -87.96 113.4 23.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.716 1.206 . . . . 74.45 110.754 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.87 147.87 24.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.51 . . . . 71.42 110.364 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.2 t -89.44 91.68 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.098 -1.075 . . . . 72.23 108.098 171.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 t -78.43 105.47 9.71 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.483 0.713 . . . . 74.13 109.332 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG22 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -87.78 113.13 53.13 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.501 0.72 . . . . 71.31 109.23 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.56 113.69 3.59 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 121.992 1.795 . . . . 63.33 110.652 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.511 ' HB2' HG23 ' A' ' 29' ' ' ILE . 57.8 mt -89.45 95.0 10.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.5 -0.926 . . . . 73.5 108.5 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.36 107.69 1.71 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.149 -0.685 . . . . 71.24 109.149 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.599 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 19.6 mt -106.73 11.92 29.73 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.988 -1.006 . . . . 74.41 109.522 171.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.91 -58.88 7.61 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 111.225 -0.75 . . . . 63.31 111.225 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.12 -42.63 65.81 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.223 0.609 . . . . 72.11 110.212 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.599 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 32.9 mmt180 -66.63 -17.37 64.79 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.691 0.997 . . . . 74.31 113.691 -172.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.12 86.25 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.25 0.548 . . . . 72.31 111.286 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -71.01 -6.6 40.16 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.531 0.732 . . . . 65.0 112.557 -172.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.68 -39.29 37.14 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 122.966 0.506 . . . . 75.22 111.613 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -93.32 -7.67 44.2 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 117.615 0.189 . . . . 73.44 111.483 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.58 98.85 8.84 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.01 -1.478 . . . . 75.51 107.01 163.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 41.8 mm -99.62 101.62 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.132 0.573 . . . . 74.41 109.54 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.2 mt -119.27 108.26 14.42 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 108.233 -1.025 . . . . 74.13 108.233 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 CA--C 1.561 1.369 0 C-N-CA 124.065 0.946 . . . . 75.15 109.707 -178.649 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 108.629 -0.878 . . . . 75.41 108.629 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.429 HG23 ' HB3' ' A' ' 4' ' ' GLN . 4.2 t -97.09 158.54 15.38 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.554 -0.536 . . . . 73.04 109.554 171.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.29 -17.76 53.52 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-N 115.697 -0.683 . . . . 73.25 113.617 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 58.7 tt0 -62.49 -61.81 2.18 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.665 0.786 . . . . 72.42 109.78 171.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.43 -35.57 68.0 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.186 0.594 . . . . 75.33 111.701 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.565 HD21 HG22 ' A' ' 20' ' ' VAL . 17.2 tp -69.28 -47.69 63.83 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.234 -0.894 . . . . 74.52 111.349 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.487 ' NH2' ' HG2' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -67.66 -39.33 84.54 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 118.112 0.414 . . . . 72.22 110.951 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -66.71 -27.55 67.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.966 0.506 . . . . 72.13 111.41 -176.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.33 -38.97 78.44 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.588 0.755 . . . . 74.11 109.879 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.1 mt -76.85 -33.82 57.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.922 0.889 . . . . 73.25 110.821 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.6 mt -77.97 -29.43 49.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.295 1.038 . . . . 72.23 111.097 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.76 -44.05 21.42 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.288 -0.415 . . . . 74.42 109.888 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 74' ' ' ILE . 24.8 tptp -76.67 -57.97 3.55 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.662 -0.699 . . . . 74.13 111.614 -172.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -107.9 -16.65 14.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.872 0.469 . . . . 73.44 111.782 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.27 6.5 68.68 Favored Glycine 0 N--CA 1.472 1.075 0 CA-C-O 119.911 -0.383 . . . . 71.31 113.988 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 92.0 m-85 -142.22 147.43 36.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.466 0.706 . . . . 73.13 110.248 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -86.93 86.42 7.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.518 0.727 . . . . 75.33 109.895 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.7 m-85 -79.22 146.38 33.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.369 0.668 . . . . 73.52 112.019 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.72 128.89 37.69 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.882 -0.414 . . . . 71.43 109.882 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.565 HG22 HD21 ' A' ' 6' ' ' LEU . 16.3 m -114.21 126.82 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 108.602 -0.888 . . . . 73.21 108.602 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -142.23 143.87 33.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.798 0.439 . . . . 75.44 110.209 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' HB3' HD11 ' A' ' 29' ' ' ILE . 81.9 m-85 -74.72 158.83 32.88 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.699 0.8 . . . . 70.3 111.601 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 19.1 tpt180 -146.25 117.92 8.09 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.443 -0.798 . . . . 75.14 109.266 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.89 111.49 24.03 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.761 0.825 . . . . 73.44 109.621 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -145.93 137.36 24.87 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 109.377 -0.601 . . . . 63.12 109.377 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 64.93 15.53 9.99 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.986 1.314 . . . . 72.14 112.93 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.0 0.79 77.22 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-O 120.499 -0.056 . . . . 74.42 113.073 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.17 162.61 12.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.12 0.968 . . . . 74.2 110.741 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.588 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -123.85 134.78 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.642 0.777 . . . . 74.35 109.303 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.446 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 82.8 m-85 -132.05 135.97 46.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.78 1.232 . . . . 75.41 109.083 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -97.39 100.35 11.79 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.149 -0.685 . . . . 74.3 109.149 171.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -90.37 109.36 20.48 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.227 0.537 . . . . 63.2 110.959 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.625 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -74.44 106.64 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 114.597 -1.183 . . . . 74.21 109.311 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -63.13 163.87 9.44 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.299 1.039 . . . . 74.41 112.101 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.55 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 25.2 p90 -85.77 -8.16 58.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.618 1.167 . . . . 72.42 112.217 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -96.65 144.01 27.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.957 0.503 . . . . 75.23 110.095 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -135.05 159.39 41.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.103 -0.953 . . . . 73.31 110.835 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD23 ' HD2' ' A' ' 50' ' ' TYR . 48.8 tp -67.38 -22.92 65.54 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.222 1.009 . . . . 73.32 112.404 -171.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -70.95 -11.2 60.83 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.321 0.649 . . . . 54.14 110.892 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -84.62 131.35 34.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.833 0.853 . . . . 74.21 109.399 168.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -11.41 60.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.402 0.681 . . . . 74.32 111.105 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.6 t -84.13 -11.44 56.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.111 0.964 . . . . 74.42 111.702 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.28 124.2 76.76 Favored Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 123.794 0.837 . . . . 74.01 110.295 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.21 -37.74 59.75 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 123.519 2.813 . . . . 72.12 113.947 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.1 mtm -96.55 144.6 26.48 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.031 0.532 . . . . 64.12 110.001 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -83.36 -179.1 7.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.781 0.832 . . . . 74.23 109.356 174.387 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.0 mt-10 -59.81 -45.29 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.784 0.661 . . . . 72.15 112.784 -171.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.8 m -81.16 -33.09 33.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.851 0.46 . . . . 65.33 110.529 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -59.39 -48.48 81.48 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.515 0.674 . . . . 74.42 110.268 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.518 ' HD2' HD23 ' A' ' 38' ' ' LEU . 48.8 t80 -72.9 -33.9 66.31 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 114.401 -1.272 . . . . 73.22 111.643 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.487 ' HG2' ' NH2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -66.78 -46.98 73.58 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.253 0.549 . . . . 75.21 109.71 -177.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.98 -26.06 62.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.471 -0.786 . . . . 73.42 111.014 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -63.75 -44.25 94.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.533 0.733 . . . . 72.51 110.199 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 7' ' ' ARG . 87.4 mt -59.71 -49.07 79.17 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.3 0.64 . . . . 75.32 110.811 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.18 -32.48 73.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 124.012 0.82 . . . . 74.03 110.796 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.2 t -70.22 -46.92 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.557 0.743 . . . . 72.1 110.62 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.5 t -61.1 -44.13 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.777 0.831 . . . . 74.4 110.192 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -28.28 67.05 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.672 1.189 . . . . 64.34 111.858 -176.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.84 -46.87 76.92 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.483 -0.781 . . . . 74.43 109.584 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.82 -33.44 75.87 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.69 0.619 . . . . 72.34 111.743 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 78.7 mt -61.06 -41.83 97.35 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 122.446 0.299 . . . . 71.0 110.63 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -76.2 -40.21 52.83 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.458 0.303 . . . . 74.34 111.223 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.96 90.97 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.04 0.936 . . . . 71.12 110.953 -177.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.3 -24.31 29.92 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.311 -1.313 . . . . 62.11 110.703 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.6 8.99 61.85 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 113.795 0.278 . . . . 73.55 113.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.16 4.02 86.45 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-O 119.532 -0.593 . . . . 72.21 113.543 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -62.85 -46.44 87.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.557 0.743 . . . . 75.51 111.872 -177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -35.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 115.491 -0.777 . . . . 74.1 110.06 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.25 -33.69 74.85 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.455 0.702 . . . . 74.42 111.353 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.97 -46.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.671 0.788 . . . . 75.52 110.225 173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -69.83 -22.18 63.3 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.241 -0.89 . . . . 74.42 111.81 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -78.19 -54.87 5.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.262 -0.644 . . . . 64.15 109.262 173.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -63.39 -59.72 4.32 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.148 -0.933 . . . . 72.12 111.211 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 52.9 mt -56.92 -45.92 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.602 0.761 . . . . 74.32 111.451 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -65.63 -27.66 68.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.299 0.64 . . . . 74.43 111.889 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -95.12 -33.93 12.47 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.816 0.673 . . . . 63.34 112.816 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -76.9 126.82 31.62 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.145 0.498 . . . . 75.14 111.162 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -87.35 6.43 33.66 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.272 0.629 . . . . 75.42 110.888 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.78 140.88 40.9 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.433 0.693 . . . . 72.25 110.021 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -115.36 142.96 29.51 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.395 -0.82 . . . . 73.45 109.328 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 45.4 Cg_endo -70.06 119.18 6.15 Favored 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.04 1.827 . . . . 73.42 110.412 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 77.1 ttt180 -125.21 162.1 25.43 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.963 1.305 . . . . 75.34 108.848 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.4 tp -48.52 111.96 0.53 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.274 0.63 . . . . 55.43 110.709 174.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.74 -34.65 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.032 -0.531 . . . . 50.15 112.627 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.44 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 61.8 tttp -90.94 103.19 15.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.808 0.843 . . . . 65.35 110.821 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.87 137.17 32.6 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.361 -0.607 . . . . 75.11 109.361 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.625 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.2 t -76.85 88.16 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 N-CA-C 108.116 -1.068 . . . . 73.44 108.116 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -83.34 108.33 16.46 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.263 -0.881 . . . . 74.52 109.309 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.7 mt -89.52 109.68 33.57 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.056 0.942 . . . . 73.3 109.341 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.01 112.31 2.68 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 121.724 1.616 . . . . 74.42 110.24 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.579 ' HB2' HG22 ' A' ' 29' ' ' ILE . 72.6 mt -84.82 95.62 9.04 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.729 -0.841 . . . . 74.24 108.729 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.61 90.44 1.36 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.537 -1.21 . . . . 72.22 110.587 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.1 mt -103.29 28.09 6.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 74.3 110.35 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.84 -79.17 0.2 Allowed Glycine 0 C--N 1.352 1.45 0 O-C-N 123.154 0.284 . . . . 73.35 112.473 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.2 -21.8 36.28 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.09 0.556 . . . . 75.31 110.632 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -73.81 -6.79 49.19 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.447 0.699 . . . . 63.35 112.014 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.94 70.18 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.48 0.312 . . . . 73.52 111.225 167.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -76.04 -10.92 59.81 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.361 0.875 . . . . 74.15 113.361 -172.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.8 -42.72 99.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.19 0.596 . . . . 71.31 111.384 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -87.7 -12.37 45.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.146 -0.479 . . . . 71.1 111.767 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.41 103.33 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 107.459 -1.312 . . . . 75.31 107.459 168.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.4 mm -97.36 -57.16 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 N-CA-C 107.599 -1.259 . . . . 75.43 107.599 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.5 mt 51.9 37.88 22.05 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.712 1.605 . . . . 75.12 113.321 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 . . . . . 0 CA--C 1.547 0.827 0 C-N-CA 123.836 0.854 . . . . 75.02 109.455 172.689 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 66.7 ttp . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.456 -0.572 . . . . 70.41 109.456 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -81.71 176.81 9.31 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.782 0.833 . . . . 70.43 110.498 172.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.45 -23.2 73.51 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.414 0.446 . . . . 75.05 112.812 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -61.04 -51.05 70.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.054 0.942 . . . . 71.22 109.594 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.516 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 14.3 mm-40 -67.89 -39.81 83.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.365 -0.834 . . . . 74.24 110.478 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.606 HD23 HG22 ' A' ' 20' ' ' VAL . 47.1 tp -61.88 -44.17 97.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.321 -0.854 . . . . 72.15 110.437 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.505 HH22 HD23 ' A' ' 38' ' ' LEU . 44.6 ttt180 -63.64 -46.05 87.4 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.088 0.555 . . . . 65.44 110.566 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.77 -24.47 67.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.575 0.75 . . . . 64.32 112.133 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.71 -40.34 63.66 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.526 0.731 . . . . 74.41 110.138 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.0 mt -71.3 -35.82 71.43 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.596 0.759 . . . . 73.52 110.19 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.92 -36.05 56.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.858 0.863 . . . . 75.22 111.427 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.22 -49.4 72.13 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.769 0.668 . . . . 62.41 111.184 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -85.77 -50.24 7.31 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.475 -0.784 . . . . 75.42 111.565 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.54 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 18.6 m0 -105.59 -23.08 12.85 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.8 0.667 . . . . 75.51 112.8 -169.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.48 81.06 Favored Glycine 0 N--CA 1.479 1.566 0 N-CA-C 114.085 0.394 . . . . 42.42 114.085 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -132.84 143.29 49.43 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.458 0.703 . . . . 74.53 109.614 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -87.31 81.47 7.89 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.506 -0.924 . . . . 75.41 108.506 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -75.56 145.2 41.42 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.599 0.76 . . . . 75.22 111.518 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.61 143.49 56.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.072 -0.714 . . . . 62.21 109.072 173.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.606 HG22 HD23 ' A' ' 6' ' ' LEU . 14.6 m -129.41 138.86 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.962 0.905 . . . . 74.53 108.867 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.05 145.88 26.64 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.494 0.717 . . . . 74.2 110.631 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' HB3' HD13 ' A' ' 29' ' ' ILE . 93.8 m-85 -81.31 152.5 27.53 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.583 0.753 . . . . 63.25 110.565 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -145.78 129.1 16.8 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.054 0.942 . . . . 74.55 109.009 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -100.45 96.36 7.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.625 -0.88 . . . . 75.0 108.625 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -133.37 139.56 46.87 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.921 -0.77 . . . . 74.42 108.921 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 68.82 18.03 8.67 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.175 1.39 . . . . 74.31 111.462 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.37 6.3 86.35 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.5 -0.318 . . . . 64.33 113.08 -176.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -106.48 -176.42 3.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.889 1.276 . . . . 74.11 109.637 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' ' 91' ' ' LEU . 9.8 tp -130.93 129.45 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 N-CA-C 109.282 -0.636 . . . . 72.44 109.282 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.07 130.56 45.03 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.245 1.018 . . . . 75.21 109.278 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.7 tp -92.8 100.14 12.68 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.825 -0.806 . . . . 70.3 108.825 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -85.19 112.76 21.01 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 109.758 -0.46 . . . . 75.05 109.758 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.7 t -79.31 105.23 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 114.958 -1.019 . . . . 71.33 109.017 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.43 152.07 44.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.614 1.165 . . . . 74.21 111.671 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.424 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 36.0 p90 -73.67 -18.99 60.96 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.28 1.032 . . . . 75.24 111.808 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.83 115.63 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.792 0.837 . . . . 74.43 109.308 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 3.9 p90 -110.53 164.99 12.17 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.006 0.922 . . . . 74.43 109.606 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.505 HD23 HH22 ' A' ' 7' ' ' ARG . 42.5 tp -68.42 -23.78 64.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 118.877 0.762 . . . . 73.31 111.703 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -70.7 -5.5 30.2 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.838 0.855 . . . . 73.21 110.936 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tp60 -59.87 132.03 52.69 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 124.71 1.204 . . . . 74.34 110.458 177.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.0 -21.96 66.72 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.137 0.575 . . . . 74.5 111.867 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -134.9 68.22 1.48 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.698 0.799 . . . . 75.23 109.763 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.09 121.99 81.18 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.182 -1.044 . . . . 74.31 108.182 169.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.15 -11.66 6.27 Favored 'Trans proline' 0 N--CA 1.513 2.638 0 C-N-CA 123.921 3.08 . . . . 74.33 115.545 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 mtp -123.7 156.3 36.22 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.005 0.922 . . . . 75.31 110.183 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.615 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 72.8 m-20 -76.56 171.73 14.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.111 0.564 . . . . 74.23 110.588 175.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.79 -41.08 97.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.949 0.9 . . . . 74.55 111.064 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -67.77 -46.38 72.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.623 0.769 . . . . 74.22 110.523 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.615 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.6 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.125 0.97 . . . . 71.12 110.222 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.45 ' HD2' HD21 ' A' ' 38' ' ' LEU . 68.4 t80 -70.25 -38.77 75.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.092 -1.413 . . . . 75.31 112.079 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.7 -44.77 80.82 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.647 -0.501 . . . . 63.12 109.647 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.83 -23.72 62.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.81 0.844 . . . . 73.41 111.275 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.57 -45.94 74.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.104 0.562 . . . . 74.45 109.882 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 7' ' ' ARG . 96.0 mt -60.68 -38.83 86.24 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.835 0.709 . . . . 73.15 110.146 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.99 -39.67 87.19 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.137 0.898 . . . . 73.03 110.881 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -66.22 -48.08 71.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.396 0.678 . . . . 71.12 110.474 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.08 -50.91 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.993 0.917 . . . . 71.43 110.331 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -70.12 -19.76 63.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.979 0.911 . . . . 74.14 112.015 -177.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.28 -33.97 61.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.974 0.51 . . . . 75.11 110.007 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -71.96 -39.93 69.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.752 0.421 . . . . 71.42 109.997 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 58' ' ' ALA . 85.8 mt -59.79 -33.35 71.61 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.284 0.564 . . . . 73.31 110.068 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -72.06 -45.72 59.67 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.042 0.937 . . . . 72.54 111.281 172.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -21.76 59.52 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.879 0.872 . . . . 72.15 112.579 -172.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -103.74 -24.06 13.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.368 0.667 . . . . 73.22 110.499 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.47 18.18 49.86 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.936 -0.575 . . . . 72.33 112.11 -173.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.69 2.67 80.53 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-O 119.355 -0.692 . . . . 64.3 113.957 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.84 65.42 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.564 0.682 . . . . 75.21 110.902 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.43 -34.45 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 123.72 0.637 . . . . 74.43 110.521 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 9.5 mm-40 -63.48 -39.37 94.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.21 0.604 . . . . 75.24 110.546 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.11 -48.04 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.949 0.9 . . . . 75.35 111.039 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.01 -47.86 79.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.055 0.942 . . . . 74.44 111.181 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.473 HG21 ' NE2' ' A' ' 76' ' ' GLN . 90.0 m -64.4 -48.68 74.49 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.379 1.072 . . . . 73.42 110.867 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -65.61 -46.32 79.79 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.872 0.469 . . . . 72.3 111.394 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 ' HA ' HG21 ' A' ' 77' ' ' THR . 47.9 mt -65.94 -36.67 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.301 0.64 . . . . 71.31 111.301 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.1 m -62.6 -38.82 91.67 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.331 0.652 . . . . 74.44 110.954 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.473 ' NE2' HG21 ' A' ' 72' ' ' THR . 47.8 mt-30 -75.27 -49.16 20.15 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.378 0.671 . . . . 74.35 111.72 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.417 HG21 ' HA ' ' A' ' 74' ' ' ILE . 10.6 t -71.27 116.08 11.17 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.452 0.644 . . . . 73.13 110.978 -171.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.43 -6.25 57.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.659 0.784 . . . . 74.42 110.483 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 124.093 0.957 . . . . 74.42 110.463 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.54 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 98.4 mtt180 -122.95 148.12 53.19 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.262 1.025 . . . . 75.54 109.907 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 35.9 Cg_exo -60.35 119.07 6.05 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.184 1.923 . . . . 71.51 111.108 172.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 8.5 tpt180 -114.3 165.39 12.75 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.615 1.166 . . . . 74.14 107.864 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.33 114.76 3.09 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 118.775 0.716 . . . . 72.42 110.694 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.5 -7.58 81.63 Favored Glycine 0 C--N 1.349 1.287 0 CA-C-N 115.876 -0.602 . . . . 75.34 113.567 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.506 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 50.6 tptt -118.5 104.86 11.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 75.15 109.935 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.92 152.59 21.16 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.266 0.626 . . . . 74.43 109.603 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.46 95.03 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.384 -0.969 . . . . 74.4 108.384 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.4 t -78.43 114.96 17.8 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.681 0.792 . . . . 73.11 110.016 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.6 mt -96.71 110.27 52.44 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 123.641 0.777 . . . . 74.32 109.413 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.24 113.7 3.77 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.273 1.982 . . . . 54.52 110.937 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.586 ' HB2' HG21 ' A' ' 29' ' ' ILE . 54.6 mt -93.1 111.53 23.19 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 108.226 -1.027 . . . . 71.22 108.226 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 26.1 t70 -77.41 97.02 4.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.228 -0.656 . . . . 64.23 109.228 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 43.2 mt -104.02 27.6 7.5 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 107.833 -1.173 . . . . 64.42 107.833 163.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.74 -58.99 3.12 Favored Glycine 0 C--N 1.355 1.61 0 N-CA-C 110.491 -1.044 . . . . 60.33 110.491 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -77.4 -51.5 10.69 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.438 -0.949 . . . . 75.31 108.438 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -65.88 -9.51 29.92 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.09 1.144 . . . . 71.02 114.09 -171.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 93' ' ' LEU . . . -55.86 -47.1 77.92 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 118.581 0.628 . . . . 75.33 111.336 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 t -72.27 -8.73 56.44 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 113.559 0.948 . . . . 72.05 113.559 -164.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -89.86 -29.9 18.27 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.698 -0.626 . . . . 75.31 111.951 175.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.405 ' NE1' ' HA ' ' A' ' 97' ' ' ALA . 16.0 p-90 -100.98 -6.57 24.32 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 118.288 0.494 . . . . 75.41 110.931 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 mp -105.08 99.86 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 106.195 -1.78 . . . . 71.33 106.195 164.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.9 mm -110.56 119.37 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 108.418 -0.956 . . . . 74.32 108.418 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.5 mt -120.71 93.56 4.07 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 123.302 0.641 . . . . 74.43 109.463 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 CA--C 1.553 1.058 0 C-N-CA 124.429 1.092 . . . . 74.25 109.537 179.292 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' SD ' HD11 ' A' ' 6' ' ' LEU . 55.1 ttm . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 109.301 -0.629 . . . . 73.52 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 p -93.32 177.71 5.95 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.831 0.852 . . . . 72.1 108.895 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.92 68.18 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.302 0.376 . . . . 73.55 112.292 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.69 -58.24 8.19 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.521 1.128 . . . . 73.22 110.168 172.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -60.55 -36.64 78.94 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.572 0.545 . . . . 74.42 111.951 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.521 HD11 ' SD ' ' A' ' 1' ' ' MET . 36.3 tp -68.27 -46.03 71.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.42 -0.809 . . . . 75.41 110.557 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.484 ' HB2' HD11 ' A' ' 54' ' ' LEU . 75.0 ttt180 -64.12 -42.04 97.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.166 0.586 . . . . 75.44 110.891 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -67.93 -26.58 66.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.01 0.924 . . . . 74.54 111.263 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.12 -37.94 78.63 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.616 0.766 . . . . 74.4 110.105 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 36.2 mt -74.92 -36.16 62.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.727 0.811 . . . . 74.02 110.408 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.71 -35.11 65.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.807 0.843 . . . . 74.04 111.541 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.46 -34.65 74.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.943 -0.571 . . . . 73.0 110.39 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -85.08 -66.82 0.85 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.049 -0.523 . . . . 64.5 111.469 -173.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -105.33 -16.89 14.63 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.257 0.623 . . . . 74.42 111.436 -170.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.96 69.5 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 116.247 -0.433 . . . . 71.13 113.876 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 97.0 m-85 -137.35 149.78 47.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.298 0.639 . . . . 75.03 109.559 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 m -88.76 90.97 8.63 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.343 -0.984 . . . . 74.44 108.343 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.8 m-85 -82.6 148.05 28.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.941 0.496 . . . . 73.44 111.285 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.87 110.49 9.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.519 -0.764 . . . . 71.11 109.35 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG23 HD23 ' A' ' 6' ' ' LEU . 30.1 m -102.68 129.8 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.495 -0.928 . . . . 74.44 108.495 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -143.33 143.57 31.73 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.203 0.601 . . . . 71.32 110.594 -174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.538 ' HB3' HD13 ' A' ' 29' ' ' ILE . 67.8 m-85 -74.3 146.81 42.86 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.525 0.73 . . . . 74.43 111.287 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -144.42 126.46 15.49 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.652 -0.87 . . . . 74.01 108.652 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -108.34 110.96 22.66 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.541 0.736 . . . . 74.12 109.188 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 t -137.26 137.65 39.25 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 123.091 0.557 . . . . 74.44 110.012 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 72.31 -13.0 0.66 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.651 1.581 . . . . 64.23 113.199 174.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.35 -12.43 7.52 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 123.094 0.378 . . . . 54.3 112.236 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -102.93 167.83 9.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.726 0.81 . . . . 71.22 111.984 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 22' ' ' PHE . 7.4 tp -116.97 132.26 67.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.183 0.993 . . . . 74.23 109.789 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -131.02 126.98 37.36 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.328 1.051 . . . . 73.41 108.992 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.4 tp -91.49 100.47 13.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.026 -0.731 . . . . 73.45 109.026 173.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -87.83 113.08 23.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.224 0.535 . . . . 74.14 110.858 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.5 t -72.76 103.91 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.568 -1.196 . . . . 75.11 108.64 169.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.81 150.69 47.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.294 0.638 . . . . 71.01 110.309 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -70.18 -17.41 63.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.591 1.156 . . . . 72.42 110.923 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.49 102.36 3.2 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.661 0.784 . . . . 75.13 109.701 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -97.11 164.02 12.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.233 0.613 . . . . 74.44 110.439 173.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.7 tp -62.41 -23.4 66.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.405 0.682 . . . . 75.24 112.538 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.38 -10.38 59.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.767 0.427 . . . . 75.24 112.111 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 43' ' ' PHE . 84.3 mm-40 -64.33 127.37 31.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.033 0.533 . . . . 74.04 109.792 173.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.38 71.76 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.246 0.618 . . . . 70.1 110.441 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 t -98.31 28.36 4.14 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.788 0.835 . . . . 74.34 110.799 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t80 -73.7 129.83 84.59 Favored Pre-proline 0 CA--C 1.554 1.12 0 N-CA-C 109.042 -0.725 . . . . 73.15 109.042 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.21 -13.67 40.4 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 123.308 2.672 . . . . 71.42 114.343 -171.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 70.9 mtm -123.85 157.86 33.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.597 0.759 . . . . 75.53 110.431 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -100.2 176.11 5.5 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.741 -0.837 . . . . 72.34 108.741 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.41 -43.91 75.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.251 1.02 . . . . 75.11 113.075 -170.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.5 m -63.64 -61.79 2.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.624 0.77 . . . . 65.15 111.338 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -66.67 -27.7 67.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.129 0.572 . . . . 74.24 111.747 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.61 -43.11 73.4 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.075 0.55 . . . . 73.53 110.817 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -66.77 -41.86 87.03 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.961 -0.755 . . . . 71.34 108.961 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.05 -25.66 62.74 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.072 -0.967 . . . . 71.11 111.264 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -66.51 -43.71 84.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.522 0.729 . . . . 70.31 109.976 171.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 7' ' ' ARG . 88.3 mt -63.38 -39.44 94.52 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.005 0.522 . . . . 75.42 110.185 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.05 -33.12 73.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.1 -0.955 . . . . 65.23 110.874 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -67.39 -41.69 84.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.693 0.797 . . . . 74.24 110.617 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.3 -50.89 64.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.661 -0.699 . . . . 74.32 110.348 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -26.29 68.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.362 1.065 . . . . 72.05 112.036 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.32 -48.25 78.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.011 0.924 . . . . 73.44 110.361 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -71.03 -33.7 70.59 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.008 0.523 . . . . 75.45 111.612 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.96 -39.37 91.89 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.162 0.506 . . . . 72.3 110.111 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -68.65 -39.86 80.5 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.983 -1.008 . . . . 74.22 110.848 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.38 59.12 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.701 0.8 . . . . 44.42 112.895 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.1 mt -108.36 -14.79 14.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.134 0.574 . . . . 75.41 111.931 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.92 11.44 73.51 Favored Glycine 0 C--N 1.348 1.248 0 N-CA-C 112.33 -0.308 . . . . 63.3 112.33 -172.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.15 -4.41 90.24 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-O 119.496 -0.613 . . . . 72.25 113.305 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.63 83.45 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.256 0.528 . . . . 61.4 110.962 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.52 -35.02 64.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 O-C-N 124.203 0.939 . . . . 61.23 110.022 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.546 HE21 ' HG3' ' A' ' 96' ' ' ARG . 84.5 mm-40 -64.5 -45.22 88.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.398 0.679 . . . . 74.24 111.491 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.26 -42.54 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 123.85 0.718 . . . . 75.24 110.918 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 9.6 mtpm? -59.78 -59.1 5.97 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.943 0.777 . . . . 75.54 110.732 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.8 m -60.67 -40.25 91.42 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.305 1.003 . . . . 74.33 111.332 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.74 -59.17 4.91 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.746 0.654 . . . . 74.22 110.329 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt -61.12 -36.91 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.769 0.828 . . . . 72.5 111.748 -176.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.0 m -72.78 -26.54 61.57 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.149 0.58 . . . . 74.51 111.865 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -95.91 -44.47 7.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.203 -0.311 . . . . 65.13 111.745 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.0 t -66.93 163.27 20.04 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.237 0.541 . . . . 62.33 111.216 -175.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -126.48 16.83 7.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.874 0.87 . . . . 73.52 110.203 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.54 137.87 38.86 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.788 0.835 . . . . 74.54 110.859 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.65 133.53 22.2 Favored Pre-proline 0 N--CA 1.469 0.5 0 C-N-CA 124.232 1.013 . . . . 75.24 109.353 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.79 119.69 6.7 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.079 1.853 . . . . 65.13 110.277 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.49 170.12 9.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.177 0.991 . . . . 74.13 109.184 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.35 94.73 0.12 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.992 0.517 . . . . 74.24 110.839 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.47 -29.14 8.89 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 111.743 -0.543 . . . . 71.44 111.743 -175.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -92.4 110.55 21.96 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 64.51 110.448 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.8 136.16 43.13 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.059 0.544 . . . . 75.42 109.711 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 89.7 t -78.23 89.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.567 -0.901 . . . . 71.51 108.567 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -78.78 100.59 7.19 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.283 -0.871 . . . . 75.3 108.893 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.1 108.42 11.48 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 124.122 0.969 . . . . 75.44 109.212 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.03 115.43 4.27 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.162 1.908 . . . . 62.42 110.525 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.498 ' HB2' HG23 ' A' ' 29' ' ' ILE . 63.4 mt -78.61 92.29 4.7 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.601 -0.889 . . . . 73.53 108.601 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.43 99.8 0.44 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.128 -0.942 . . . . 74.44 109.402 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.5 mt -114.66 69.89 0.72 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.314 -0.857 . . . . 73.53 109.099 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -106.36 -65.26 0.63 Allowed Glycine 0 N--CA 1.467 0.75 0 N-CA-C 108.986 -1.646 . . . . 72.04 108.986 167.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -67.61 -40.62 84.72 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.131 0.972 . . . . 71.45 109.369 171.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.551 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 37.7 mmt180 -77.67 -12.32 59.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.59 0.756 . . . . 74.35 112.424 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.21 -24.36 57.76 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.489 0.315 . . . . 72.32 110.631 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 t -87.54 -9.08 55.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.621 0.769 . . . . 74.01 111.909 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.551 ' HG2' ' HA ' ' A' ' 96' ' ' ARG . 11.8 mm-40 -55.49 -44.78 76.86 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.388 0.675 . . . . 72.02 111.454 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -87.31 -3.25 59.03 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.729 -0.669 . . . . 74.43 112.653 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.71 103.75 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.449 -0.945 . . . . 72.4 108.449 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.51 80.35 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 106.579 -1.637 . . . . 71.14 106.579 167.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -109.24 146.04 34.89 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.206 -0.906 . . . . 74.43 109.567 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 123.856 0.862 . . . . 74.12 109.179 -178.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.552 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . 53.4 ttp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.595 -0.15 . . . . 72.23 110.595 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p -77.68 171.25 15.22 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.274 1.03 . . . . 75.54 110.109 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.68 71.19 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 112.339 -0.304 . . . . 73.51 112.339 171.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.83 -57.38 12.89 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.998 0.919 . . . . 72.2 110.377 170.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.59 -36.73 79.24 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.745 0.818 . . . . 64.31 111.688 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.522 HD23 HG22 ' A' ' 20' ' ' VAL . 53.3 tp -60.36 -45.88 91.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.85 0.86 . . . . 75.32 110.18 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HB2' HD11 ' A' ' 54' ' ' LEU . 57.4 ttt180 -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.419 0.449 . . . . 75.42 110.362 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -65.03 -22.06 66.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.612 0.765 . . . . 74.42 112.006 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -74.47 -40.98 61.53 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.509 0.724 . . . . 62.41 109.585 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.8 mt -70.95 -32.39 69.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.824 0.849 . . . . 75.22 110.448 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.509 HD23 ' HG ' ' A' ' 17' ' ' SER . 92.8 mt -81.54 -34.99 30.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.142 0.977 . . . . 75.23 111.608 -179.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.92 -40.37 75.59 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.892 0.477 . . . . 72.4 110.187 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.99 -63.73 1.35 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.16 -0.927 . . . . 74.43 111.649 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.423 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -104.76 -30.28 10.01 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.161 -0.472 . . . . 75.34 111.456 -171.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.13 21.12 46.93 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.35 -0.387 . . . . 74.31 113.308 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -133.0 138.59 46.88 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.801 0.84 . . . . 75.22 109.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.509 ' HG ' HD23 ' A' ' 11' ' ' LEU . 48.9 m -85.8 78.65 9.5 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.122 0.569 . . . . 73.32 109.795 178.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -75.13 149.77 38.96 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.229 0.612 . . . . 74.51 111.246 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 9.4 p-10 -84.63 131.18 34.63 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.096 -0.705 . . . . 71.23 109.096 169.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.522 HG22 HD23 ' A' ' 6' ' ' LEU . 19.9 m -105.44 131.24 55.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 108.809 -0.812 . . . . 71.34 108.809 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -131.16 141.41 50.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.109 0.563 . . . . 75.3 110.193 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.539 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.2 m-85 -73.12 153.69 40.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.296 0.638 . . . . 72.31 111.161 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -143.08 104.1 4.25 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.667 -1.234 . . . . 75.44 107.667 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -103.31 94.48 5.53 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.994 -1.484 . . . . 74.1 106.994 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -128.11 139.23 52.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.794 -1.094 . . . . 74.55 108.652 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 65.33 9.28 5.56 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.055 1.342 . . . . 72.02 111.809 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.82 67.04 Favored Glycine 0 C--N 1.353 1.523 0 C-N-CA 123.49 0.567 . . . . 71.02 112.82 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -100.21 139.43 35.89 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.306 0.642 . . . . 75.2 110.117 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.539 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -100.52 129.92 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.347 0.594 . . . . 74.11 109.596 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -128.51 130.63 47.74 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.651 1.18 . . . . 72.32 108.547 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.1 tp -91.53 99.59 12.5 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.011 -0.737 . . . . 75.31 109.011 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.81 106.57 18.46 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 122.964 0.505 . . . . 73.43 110.672 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 39.4 t -71.26 111.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.01 0.924 . . . . 75.42 108.889 173.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.2 mmt -67.59 161.24 26.1 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.238 0.542 . . . . 75.24 111.555 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.49 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.1 p90 -83.3 -10.24 58.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.658 -1.155 . . . . 74.04 110.875 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -89.17 142.04 27.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.206 0.602 . . . . 75.33 109.739 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -135.46 156.69 48.5 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.126 0.97 . . . . 64.32 109.537 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.55 -31.15 63.89 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.968 0.907 . . . . 74.21 112.761 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.71 -14.11 57.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.558 0.947 . . . . 71.11 113.558 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -75.28 140.25 43.03 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 110.062 -0.347 . . . . 55.35 110.062 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.11 -17.99 56.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.113 0.565 . . . . 71.33 110.446 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 t -77.32 -15.58 59.34 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.133 0.973 . . . . 63.41 111.224 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 5.5 t80 -67.27 124.79 89.88 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 124.123 0.969 . . . . 74.1 108.962 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -88.88 7.92 4.12 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.67 2.247 . . . . 73.41 113.377 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.1 mtp -113.82 132.15 55.98 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.1 0.96 . . . . 64.13 109.213 -173.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -74.2 176.39 6.66 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.741 0.816 . . . . 63.24 111.075 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -58.62 -67.37 0.37 Allowed 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 124.218 1.007 . . . . 74.02 112.635 -176.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 m -65.57 -34.74 78.96 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.0 0.92 . . . . 75.44 110.688 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.61 -33.5 75.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.607 0.763 . . . . 73.5 111.56 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.72 -41.14 96.19 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.887 0.475 . . . . 73.13 110.309 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -66.95 -36.05 81.35 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 109.591 -0.522 . . . . 72.42 109.591 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.11 -37.42 85.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.314 0.646 . . . . 72.53 111.437 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.33 -46.95 86.4 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.956 -0.565 . . . . 70.33 110.329 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' A' ' 7' ' ' ARG . 93.6 mt -62.73 -45.41 92.84 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.798 0.686 . . . . 72.21 111.25 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.62 -38.78 92.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.924 -1.035 . . . . 74.52 110.698 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.1 t -65.12 -47.45 77.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.84 0.713 . . . . 73.42 110.678 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG12 HG23 ' A' ' 20' ' ' VAL . 67.1 t -63.33 -51.85 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.466 -0.788 . . . . 72.23 111.001 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' HB1' HD22 ' A' ' 6' ' ' LEU . . . -65.63 -26.46 67.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.437 0.695 . . . . 75.12 112.337 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -65.94 -42.52 89.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.238 0.615 . . . . 75.11 109.649 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.12 -44.39 88.88 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.617 0.573 . . . . 74.33 111.26 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.6 mt -59.02 -39.17 81.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.376 0.671 . . . . 75.52 110.779 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.85 -31.73 57.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.659 0.783 . . . . 74.2 111.068 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.67 73.97 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.602 0.761 . . . . 74.11 111.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.2 mt -95.37 -23.31 17.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.953 0.901 . . . . 65.01 110.945 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.49 6.57 64.15 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 116.584 -0.28 . . . . 72.05 113.065 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.47 0.91 88.51 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 119.471 -0.627 . . . . 62.21 113.72 -178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 1' ' ' MET . . . -66.19 -39.94 90.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 117.507 0.653 . . . . 72.4 111.637 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.04 -38.93 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.035 -0.984 . . . . 72.14 109.83 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -59.52 -40.47 87.23 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.572 0.749 . . . . 72.13 111.267 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' HA ' HG23 ' A' ' 89' ' ' ILE . 85.3 t -65.56 -50.65 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.737 0.815 . . . . 75.13 110.722 177.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.552 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 51.7 mtpt -63.54 -33.29 75.27 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.481 0.712 . . . . 72.31 111.967 -177.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -77.5 -44.53 28.47 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.595 0.758 . . . . 70.25 110.839 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.414 ' CD2' HG12 ' A' ' 89' ' ' ILE . 59.9 t80 -65.45 -50.24 66.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.348 0.659 . . . . 73.53 110.861 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.01 -35.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.606 0.763 . . . . 74.13 111.294 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.2 m -68.7 -48.31 64.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.636 0.374 . . . . 74.33 111.09 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.21 -36.74 80.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.531 0.567 . . . . 75.14 112.531 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.4 t -75.38 158.48 32.68 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.937 0.399 . . . . 73.03 110.525 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -121.44 5.51 10.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.101 0.96 . . . . 60.42 109.124 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.5 147.74 47.46 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.875 0.87 . . . . 73.33 110.125 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 51.8 mtt180 -118.12 143.18 32.36 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-N 114.78 -1.1 . . . . 71.14 109.049 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.49 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 23.8 Cg_exo -62.74 116.73 3.72 Favored 'Trans proline' 0 C--N 1.372 1.802 0 C-N-CA 122.162 1.908 . . . . 70.41 110.501 173.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.577 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 20.1 tpt180 -118.36 160.93 20.8 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.137 0.975 . . . . 74.42 108.856 -171.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.8 tp -57.07 94.88 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.678 0.791 . . . . 73.41 111.627 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.76 -33.12 6.38 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.403 -0.817 . . . . 65.34 111.869 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 54.9 tttm -89.74 106.41 18.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.7 0.8 . . . . 74.31 110.739 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 152.05 25.03 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.639 -0.504 . . . . 65.45 109.639 169.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.9 t -85.87 89.39 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 107.609 -1.256 . . . . 72.34 107.609 171.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -80.73 106.32 12.65 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.507 -0.769 . . . . 71.34 109.462 -174.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.465 HG23 ' HA ' ' A' ' 70' ' ' VAL . 66.9 mt -92.32 109.3 37.1 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 124.563 1.145 . . . . 75.32 109.529 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.83 113.94 3.17 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 121.856 1.704 . . . . 74.02 110.214 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.503 ' HB2' HG22 ' A' ' 29' ' ' ILE . 79.0 mt -82.6 93.37 7.31 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.786 -0.82 . . . . 74.04 108.786 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -73.05 102.19 3.46 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.257 -1.016 . . . . 73.23 108.257 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.0 mt -105.45 21.05 17.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.573 0.749 . . . . 74.32 109.989 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.17 -58.01 9.57 Favored Glycine 0 C--N 1.351 1.39 0 N-CA-C 112.337 -0.305 . . . . 71.55 112.337 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.35 -33.67 55.33 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.152 0.581 . . . . 75.3 110.043 177.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -68.74 -29.72 68.19 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.53 0.732 . . . . 73.33 112.179 -175.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.482 ' HA ' ' HE1' ' A' ' 100' ' ' TRP . . . -78.58 -32.62 47.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.036 0.446 . . . . 70.4 110.446 172.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.9 t -72.55 -28.86 63.09 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.732 -0.667 . . . . 75.1 112.341 -171.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.41 -47.19 86.9 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.88 0.472 . . . . 64.14 111.967 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.482 ' HE1' ' HA ' ' A' ' 97' ' ' ALA . 59.1 p-90 -82.64 -7.4 59.65 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 111.876 0.324 . . . . 73.35 111.876 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 97' ' ' ALA . 1.3 mp -72.58 -25.61 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 123.755 0.822 . . . . 75.54 110.357 170.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.4 mm 67.27 100.31 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 124.813 1.245 . . . . 75.03 110.63 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.06 -17.53 56.89 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.219 0.608 . . . . 64.04 111.511 -177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.551 0.994 0 C-N-CA 124.365 1.066 . . . . 75.21 110.125 -175.306 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttm . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.78 -0.452 . . . . 74.41 109.78 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -90.43 -178.24 5.29 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 124.069 0.948 . . . . 74.44 109.936 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.4 -26.41 71.75 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.421 0.451 . . . . 75.21 112.077 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.17 -53.44 30.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.406 1.083 . . . . 73.54 109.802 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -59.5 -43.53 93.33 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.921 0.889 . . . . 74.41 111.743 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.599 HD21 HG23 ' A' ' 20' ' ' VAL . 32.0 tp -67.36 -42.37 83.58 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.998 0.811 . . . . 65.41 110.343 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.429 ' HB2' HD12 ' A' ' 54' ' ' LEU . 42.8 ttt180 -58.6 -48.29 81.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.915 0.886 . . . . 75.41 110.342 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' NE2' HD11 ' A' ' 11' ' ' LEU . 24.7 mm-40 -67.54 -25.18 65.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.301 1.04 . . . . 75.24 111.812 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 tp -71.65 -42.45 67.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.885 0.474 . . . . 73.41 109.742 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 47.4 mt -69.37 -32.26 71.18 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.353 0.661 . . . . 72.31 110.939 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 HD11 ' NE2' ' A' ' 8' ' ' GLN . 95.8 mt -80.4 -41.28 24.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.919 0.888 . . . . 74.03 111.431 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.6 -35.71 75.54 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.398 0.679 . . . . 75.45 110.86 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.487 ' HZ2' ' HA ' ' A' ' 78' ' ' LYS . 55.9 tptt -83.08 -65.77 0.97 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.859 -0.61 . . . . 72.42 111.761 -176.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.493 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.7 m-90 -104.81 -19.25 13.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.421 0.526 . . . . 75.02 112.421 -170.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 14.02 64.06 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 114.635 0.614 . . . . 72.33 114.635 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -141.58 151.31 43.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.245 0.618 . . . . 64.03 110.009 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 p -89.03 79.22 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.179 0.992 . . . . 72.55 110.649 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -77.15 151.74 35.17 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.368 0.507 . . . . 71.33 112.368 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.26 145.66 47.76 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.439 -0.949 . . . . 73.54 108.439 168.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.599 HG23 HD21 ' A' ' 6' ' ' LEU . 7.3 m -133.1 126.29 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.481 0.712 . . . . 72.52 109.143 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.13 140.33 51.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.247 0.619 . . . . 71.32 110.412 -175.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HB3' HD12 ' A' ' 29' ' ' ILE . 68.4 m-85 -74.95 149.2 39.45 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.763 0.825 . . . . 74.42 110.538 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -142.02 113.36 7.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.273 0.629 . . . . 71.41 109.556 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -101.94 105.3 16.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.85 0.86 . . . . 73.22 110.012 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 t -143.82 136.06 26.76 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.446 0.698 . . . . 75.4 109.77 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 63.01 26.18 15.37 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.201 1.4 . . . . 75.12 111.683 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.31 88.97 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 115.657 -0.701 . . . . 74.22 113.289 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -99.99 169.33 9.27 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.259 1.024 . . . . 72.14 109.554 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.62 HG21 ' HB2' ' A' ' 91' ' ' LEU . 6.3 tp -130.87 131.3 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 115.35 -0.841 . . . . 75.43 109.245 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -127.95 127.19 42.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.591 1.156 . . . . 71.3 108.892 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.72 97.94 11.32 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.379 -0.971 . . . . 74.25 108.379 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -86.2 107.49 17.92 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.6 0.76 . . . . 71.11 110.168 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.402 HG23 HG12 ' A' ' 20' ' ' VAL . 28.8 t -77.47 112.79 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.16 -0.927 . . . . 74.53 109.073 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -67.58 155.37 39.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.423 1.089 . . . . 74.45 111.748 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 21.7 p90 -76.0 -17.1 59.83 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.034 1.333 . . . . 73.41 111.253 175.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.7 135.52 34.54 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.397 0.679 . . . . 75.23 110.111 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.87 156.6 45.8 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.4 1.08 . . . . 75.1 109.649 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.71 -21.36 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.012 0.925 . . . . 72.02 112.191 -171.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.99 -14.28 62.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.163 0.585 . . . . 74.4 112.107 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -81.3 131.75 35.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.82 0.848 . . . . 71.34 108.955 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.91 66.67 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.265 0.626 . . . . 72.31 111.271 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -93.39 19.67 8.04 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.059 0.943 . . . . 75.5 111.677 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -73.89 129.94 84.05 Favored Pre-proline 0 CA--C 1.558 1.271 0 N-CA-C 108.815 -0.809 . . . . 73.14 108.815 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.1 -34.74 68.41 Favored 'Trans proline' 0 C--N 1.385 2.46 0 C-N-CA 123.055 2.503 . . . . 75.1 113.733 -170.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.6 mtm -101.0 143.43 31.15 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.563 0.745 . . . . 74.51 109.689 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -77.39 174.42 10.84 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.944 -0.391 . . . . 74.44 109.944 172.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.39 -40.82 79.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.357 0.663 . . . . 75.32 112.457 -173.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.9 m -64.92 -51.59 61.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.345 0.658 . . . . 65.21 110.208 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.95 -39.57 92.57 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.167 0.987 . . . . 63.13 111.778 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.38 -40.37 81.4 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.144 0.902 . . . . 73.41 110.912 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -67.66 -41.54 83.62 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.092 -0.707 . . . . 73.02 109.092 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.94 -34.71 78.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.941 0.896 . . . . 62.41 110.732 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.54 -42.75 82.2 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.715 0.806 . . . . 64.21 110.006 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 7' ' ' ARG . 82.9 mt -59.86 -44.13 94.3 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.919 0.762 . . . . 74.44 110.302 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.74 -31.57 66.82 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.285 0.991 . . . . 71.01 110.752 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -70.58 -43.33 69.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.624 0.77 . . . . 73.21 110.738 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.2 t -63.12 -50.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 C-N-CA 123.747 0.819 . . . . 65.25 109.886 175.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.64 -20.86 63.59 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.359 1.064 . . . . 75.02 111.948 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -67.1 -44.29 80.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.682 0.793 . . . . 73.24 109.708 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -70.73 -36.21 73.08 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.693 -0.685 . . . . 75.5 111.141 176.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -38.31 87.54 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.764 -0.458 . . . . 75.35 109.764 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.6 -54.13 32.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.486 0.714 . . . . 72.24 110.499 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.5 99.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.075 0.95 . . . . 70.54 112.13 -170.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' HB3' HD13 ' A' ' 93' ' ' LEU . 79.3 mt -85.27 -22.96 28.38 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.551 0.74 . . . . 70.25 111.773 -175.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.48 13.67 61.12 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.879 -0.488 . . . . 75.03 111.879 -171.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.13 -9.62 86.88 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-O 119.361 -0.688 . . . . 74.43 113.527 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.7 95.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.732 0.813 . . . . 75.32 110.652 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.04 -36.94 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 O-C-N 124.337 1.023 . . . . 74.32 110.269 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.497 HE21 ' HG3' ' A' ' 96' ' ' ARG . 81.8 mm-40 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.37 0.668 . . . . 74.15 111.338 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 66' ' ' GLY . 90.2 t -66.03 -48.86 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.561 0.744 . . . . 75.12 110.217 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -58.29 -52.64 64.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.003 0.921 . . . . 75.22 111.584 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.1 m -61.42 -44.1 97.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.904 0.882 . . . . 63.32 111.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -66.5 -49.5 66.35 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.576 0.548 . . . . 74.31 110.415 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.84 -30.33 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.082 0.953 . . . . 75.04 111.143 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.2 m -67.42 -45.35 76.38 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 109.861 -0.422 . . . . 73.5 109.861 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.57 -63.72 1.02 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.042 0.537 . . . . 74.1 111.581 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 t -68.23 135.31 51.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.109 0.564 . . . . 72.23 110.197 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.487 ' HA ' ' HZ2' ' A' ' 13' ' ' LYS . 96.5 mttt -114.47 19.84 15.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.994 0.918 . . . . 72.4 109.563 174.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.22 134.15 42.7 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.88 -1.055 . . . . 74.2 109.99 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.493 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 74.9 mtt-85 -101.35 141.19 22.11 Favored Pre-proline 0 C--O 1.241 0.634 0 CA-C-N 115.232 -0.894 . . . . 75.13 109.964 -177.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -55.55 117.95 4.64 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.825 2.35 . . . . 72.45 111.368 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -112.01 152.69 27.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 74.04 109.793 -168.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.69 116.0 3.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.914 0.486 . . . . 75.33 110.136 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 -33.0 5.43 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.93 -0.577 . . . . 61.01 112.698 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.63 113.89 26.25 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.64 0.776 . . . . 75.23 111.348 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.23 152.7 22.09 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 71.34 110.922 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.1 t -81.42 91.57 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.49 -0.929 . . . . 73.32 108.49 172.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -78.09 103.11 7.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.219 -0.9 . . . . 74.22 109.19 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 71.7 mt -88.19 107.78 18.22 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.051 0.94 . . . . 75.02 109.984 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.06 113.37 3.4 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.093 1.862 . . . . 72.4 110.476 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.62 ' HB2' HG21 ' A' ' 29' ' ' ILE . 54.0 mt -87.15 99.93 12.29 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.227 -1.027 . . . . 74.41 108.227 177.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.85 86.92 2.83 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.561 -0.745 . . . . 75.02 109.35 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 HD13 ' HB3' ' A' ' 64' ' ' LEU . 62.3 mt -103.89 71.87 1.07 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.773 0.829 . . . . 74.03 109.002 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.18 -79.23 0.86 Allowed Glycine 0 C--N 1.337 0.62 0 CA-C-N 114.888 -1.051 . . . . 73.23 110.869 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.25 -39.11 65.69 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.387 0.675 . . . . 75.34 110.272 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.497 ' HG3' HE21 ' A' ' 69' ' ' GLN . 16.0 mmp_? -54.99 -43.5 73.61 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.684 0.794 . . . . 64.31 110.057 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.471 ' HA ' ' NE1' ' A' ' 100' ' ' TRP . . . -64.88 -45.53 85.61 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.907 -1.042 . . . . 75.41 110.692 175.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.1 t -65.36 -26.58 68.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.252 0.621 . . . . 72.04 112.518 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.31 -37.34 80.49 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.355 0.662 . . . . 62.32 112.096 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.471 ' NE1' ' HA ' ' A' ' 97' ' ' ALA . 39.2 p-90 -94.1 -11.08 31.34 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 118.218 0.463 . . . . 74.23 111.677 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.414 HD13 ' O ' ' A' ' 97' ' ' ALA . 1.6 mp -78.77 -36.85 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 123.19 0.596 . . . . 73.21 109.502 169.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.4 mm 61.43 84.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.701 1.201 . . . . 75.42 110.592 -175.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.17 163.83 21.67 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.294 0.638 . . . . 70.45 109.466 168.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 CA--C 1.557 1.218 0 C-N-CA 123.238 0.615 . . . . 74.24 110.993 -179.671 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.548 ' SD ' ' HB2' ' A' ' 6' ' ' LEU . 47.6 ttm . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.608 -0.145 . . . . 75.42 110.608 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -106.54 169.09 8.73 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.743 1.217 . . . . 72.43 109.425 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.75 -21.08 62.65 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 120.034 -0.315 . . . . 71.32 112.449 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.1 -55.91 10.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.354 1.061 . . . . 75.2 110.088 172.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.72 -40.66 97.9 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.483 1.115 . . . . 71.44 111.351 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 32.0 tp -67.89 -43.38 79.43 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.08 0.863 . . . . 63.45 110.816 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -58.75 -52.49 65.46 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.301 0.64 . . . . 74.43 110.332 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.65 -19.68 63.61 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 114.594 -1.184 . . . . 73.54 112.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 71' ' ' LYS . 24.2 tp -73.33 -24.0 60.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.356 0.525 . . . . 73.43 110.458 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.8 mt -90.45 -35.43 15.14 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.857 0.863 . . . . 74.23 109.988 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.87 -61.03 2.02 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.758 0.823 . . . . 75.24 111.307 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -45.46 -43.68 11.68 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.237 1.015 . . . . 71.52 112.376 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -75.97 -63.12 1.38 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.95 0.9 . . . . 73.11 112.229 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.583 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 6.6 m0 -107.44 -23.09 12.32 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 112.661 0.615 . . . . 75.05 112.661 -167.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.89 -3.68 57.35 Favored Glycine 0 N--CA 1.473 1.149 0 N-CA-C 114.105 0.402 . . . . 43.33 114.105 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -127.17 149.07 50.14 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.019 0.527 . . . . 65.52 110.537 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -85.97 67.33 9.97 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.392 1.077 . . . . 72.02 110.35 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.54 152.31 45.5 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.264 -0.426 . . . . 74.13 111.177 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.84 136.38 33.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.692 -0.855 . . . . 74.21 108.692 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.521 HG22 HD23 ' A' ' 6' ' ' LEU . 30.4 m -105.52 139.62 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.699 -0.852 . . . . 74.41 108.699 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -132.7 136.44 46.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.673 0.389 . . . . 73.42 110.836 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.3 119.07 13.01 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.825 0.85 . . . . 75.3 110.192 174.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -103.41 104.24 14.31 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.123 0.969 . . . . 75.33 108.567 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -101.37 103.82 14.78 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.872 -1.158 . . . . 73.33 107.872 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -145.87 132.94 20.33 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.08 0.552 . . . . 74.41 110.889 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 60.07 33.71 21.27 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.042 1.337 . . . . 73.11 112.28 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.87 7.54 86.35 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.76 -0.655 . . . . 75.45 113.367 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -113.68 158.37 20.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.234 1.014 . . . . 71.43 109.866 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 tp -126.75 130.01 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.478 0.711 . . . . 71.52 110.215 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.69 125.26 29.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 75.41 107.908 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -89.07 97.81 11.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.053 -1.091 . . . . 71.15 108.053 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -86.52 106.71 17.71 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.214 -0.448 . . . . 74.02 109.875 -176.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.451 HG22 HG13 ' A' ' 20' ' ' VAL . 37.0 t -66.81 104.92 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.801 0 N-CA-C 107.895 -1.15 . . . . 54.32 107.895 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mmm -69.5 161.3 29.78 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.481 0.658 . . . . 73.24 111.462 -174.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -78.69 4.7 12.95 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.504 -1.226 . . . . 74.21 113.022 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.649 ' HZ2' ' HB2' ' A' ' 36' ' ' LYS . 7.5 mtmp? -110.96 150.49 29.16 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.211 1.004 . . . . 75.43 109.32 -177.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.402 ' CD1' ' HB2' ' A' ' 39' ' ' GLU . 6.7 p90 -137.29 162.25 34.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.244 0.617 . . . . 72.05 110.394 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.83 -21.62 65.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.618 0.767 . . . . 70.11 111.459 -175.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 5.6 mm-40 -64.68 -18.6 65.13 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.236 0.615 . . . . 55.24 111.164 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -70.06 126.41 29.6 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.159 0.584 . . . . 65.25 109.926 171.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.36 -23.93 61.99 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.942 0.497 . . . . 65.42 110.467 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -79.0 2.66 19.67 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.131 0.972 . . . . 63.33 111.983 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.76 119.5 74.58 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.518 0.727 . . . . 63.25 109.259 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.93 0.71 9.77 Favored 'Trans proline' 0 C--N 1.384 2.408 0 C-N-CA 122.923 2.415 . . . . 75.52 113.502 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtp -106.74 135.66 47.9 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.21 1.004 . . . . 70.22 108.894 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -70.1 171.67 9.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.984 0.513 . . . . 73.44 110.163 174.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.1 -40.02 96.41 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.112 0.565 . . . . 74.35 110.843 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -63.76 -44.81 92.34 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 123.708 0.63 . . . . 72.42 109.779 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.98 -39.07 88.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.361 0.665 . . . . 71.23 111.007 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' CZ ' HD13 ' A' ' 54' ' ' LEU . 53.3 t80 -63.22 -49.86 72.53 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.254 0.971 . . . . 74.21 110.789 177.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.81 -39.34 83.99 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.602 0.564 . . . . 75.32 111.279 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -73.57 -24.3 60.07 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.143 0.577 . . . . 75.4 111.042 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -67.51 -46.69 72.16 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.549 -0.908 . . . . 72.21 108.549 173.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.459 HD13 ' CZ ' ' A' ' 50' ' ' TYR . 82.8 mt -64.46 -37.05 86.18 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.999 0.812 . . . . 74.32 111.256 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.08 -40.47 78.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 123.769 0.668 . . . . 74.13 109.531 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 t -71.08 -37.23 72.45 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.375 -0.829 . . . . 74.12 111.127 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.419 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 41.0 t -63.59 -51.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 C-N-CA 123.31 0.644 . . . . 74.54 109.354 175.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.03 -28.33 69.51 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.247 1.019 . . . . 65.12 111.967 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.44 -47.56 69.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.645 0.778 . . . . 70.15 109.699 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.49 -40.03 96.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.08 0.552 . . . . 74.15 110.964 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 96.2 mt -62.96 -32.85 74.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.332 0.653 . . . . 74.13 110.82 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -71.85 -41.61 67.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.607 0.763 . . . . 75.03 110.773 173.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.54 74.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.589 0.756 . . . . 65.32 111.818 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.43 -24.94 17.12 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.703 0.801 . . . . 70.43 111.21 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.92 20.48 50.03 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 116.143 -0.48 . . . . 55.51 112.735 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -94.84 3.01 67.19 Favored Glycine 0 C--N 1.347 1.161 0 CA-C-O 119.553 -0.582 . . . . 63.44 113.547 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.59 43.79 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 117.407 0.604 . . . . 62.12 111.697 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -65.61 -28.3 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-N 115.726 -0.67 . . . . 74.13 109.959 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.604 HE21 ' HG3' ' A' ' 96' ' ' ARG . 85.0 mm-40 -62.99 -44.95 94.62 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.237 0.615 . . . . 64.24 111.12 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.557 ' HA ' HG22 ' A' ' 89' ' ' ILE . 94.4 t -63.71 -49.89 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.568 0.747 . . . . 71.41 110.731 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HA ' HD21 ' A' ' 9' ' ' LEU . 49.5 mtpt -62.53 -45.69 91.81 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 123.763 0.664 . . . . 74.53 111.522 -176.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.474 HG23 ' NE2' ' A' ' 76' ' ' GLN . 94.5 m -64.43 -44.67 90.44 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.877 0.736 . . . . 74.13 110.877 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -61.93 -47.43 84.92 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.574 0.546 . . . . 74.55 110.543 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -67.01 -29.22 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.684 0.794 . . . . 73.52 111.229 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.5 m -67.63 -39.04 84.66 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.671 0.272 . . . . 73.24 110.53 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.474 ' NE2' HG23 ' A' ' 72' ' ' THR . 46.7 mt-30 -77.98 -63.22 1.44 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 72.1 111.167 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 t -62.35 137.34 58.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.337 0.655 . . . . 74.03 110.267 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -113.14 14.5 19.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.488 0.715 . . . . 74.42 109.835 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.48 149.1 40.47 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.483 1.113 . . . . 73.11 110.18 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 83.7 mtt180 -116.28 145.51 35.22 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 123.7 0.8 . . . . 75.41 111.449 -177.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.01 122.26 9.13 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.176 2.584 . . . . 75.13 110.959 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -139.18 148.61 43.39 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.993 -1.114 . . . . 74.22 107.993 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.3 tp -47.19 118.42 2.13 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 124.077 0.951 . . . . 73.23 113.308 -168.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.69 -13.34 67.7 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.303 0.478 . . . . 71.32 113.928 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -126.31 104.72 8.35 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.234 1.413 . . . . 75.21 110.436 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.99 143.28 28.0 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.488 0.715 . . . . 74.41 110.872 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.82 90.87 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.574 -0.899 . . . . 61.11 108.574 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.8 t -79.29 107.89 12.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.079 -0.964 . . . . 74.23 109.601 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 70' ' ' VAL . 73.9 mt -90.31 107.48 20.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.56 0.744 . . . . 74.33 110.127 -177.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.82 115.0 3.54 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.457 2.105 . . . . 73.14 110.68 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.22 107.33 18.44 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.996 -0.742 . . . . 73.25 108.996 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 95.78 1.66 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.162 -1.051 . . . . 72.52 108.162 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt -106.73 17.58 23.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.23 -1.026 . . . . 72.41 108.23 168.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.29 -50.34 39.56 Favored Glycine 0 C--N 1.352 1.433 0 N-CA-C 110.859 -0.896 . . . . 74.14 110.859 174.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -97.32 -39.47 9.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.321 0.648 . . . . 73.13 111.509 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.604 ' HG3' HE21 ' A' ' 69' ' ' GLN . 38.0 mmt180 -73.96 -12.67 60.71 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 113.643 0.979 . . . . 72.13 113.643 -171.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.12 -17.06 60.99 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.039 0.381 . . . . 73.22 111.811 177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.9 t -68.81 -9.58 51.92 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 112.768 0.655 . . . . 72.42 112.768 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.37 -42.34 71.89 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.519 0.328 . . . . 74.23 110.526 173.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -103.66 -17.96 14.92 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.221 0.608 . . . . 72.12 111.91 -174.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.5 100.13 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 106.534 -1.654 . . . . 73.31 106.534 166.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 49.2 mm -121.97 93.9 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.294 -1.373 . . . . 74.32 107.294 173.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.69 104.17 15.84 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.765 0.826 . . . . 75.51 110.021 -177.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 123.59 0.756 . . . . 74.31 109.665 178.641 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 ttm . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.003 -0.369 . . . . 74.4 110.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.0 p -87.16 173.52 9.18 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.0 -0.741 . . . . 75.24 109.0 168.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.53 -27.59 71.12 Favored Glycine 0 C--N 1.345 1.036 0 C-N-CA 121.713 -0.279 . . . . 64.04 112.631 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 35.2 tt0 -64.07 -51.66 63.0 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.543 0.737 . . . . 75.43 109.842 171.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -65.06 -33.54 76.28 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.592 0.757 . . . . 62.32 112.011 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.481 HD22 HG22 ' A' ' 20' ' ' VAL . 59.7 tp -64.18 -42.26 96.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 109.615 -0.513 . . . . 75.31 109.615 174.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.534 ' HB2' HD13 ' A' ' 54' ' ' LEU . 72.2 ttt180 -65.55 -40.57 93.01 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.241 0.616 . . . . 74.32 110.724 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 14.8 mm100 -64.48 -34.42 78.17 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.018 0.527 . . . . 75.33 110.221 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.86 -34.03 77.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.026 0.93 . . . . 74.33 110.49 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.1 mt -77.91 -34.89 51.19 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.848 0.859 . . . . 73.32 110.066 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -27.35 60.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.124 0.97 . . . . 63.24 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.8 -39.95 25.84 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.909 0.484 . . . . 75.33 110.5 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -77.88 -55.24 5.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.853 -0.612 . . . . 73.54 111.474 -173.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.419 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -114.06 -15.75 12.23 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 74.14 112.035 -171.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.73 18.57 75.11 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 123.368 0.418 . . . . 70.33 113.33 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.61 142.93 29.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.97 0.908 . . . . 71.54 109.105 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -88.94 102.13 14.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.658 0.783 . . . . 64.41 109.834 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.52 148.08 23.61 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.622 0.769 . . . . 72.22 111.511 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -61.71 146.25 49.82 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.287 -0.869 . . . . 70.54 109.224 165.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 HG22 ' A' ' 57' ' ' VAL . 15.3 m -138.7 127.32 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 108.741 -0.837 . . . . 61.32 108.741 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -119.1 149.68 41.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.118 0.567 . . . . 75.24 110.934 -175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HB3' HD13 ' A' ' 29' ' ' ILE . 56.5 m-85 -91.78 148.48 22.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 74.51 110.379 171.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -141.38 128.51 20.87 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.204 -0.665 . . . . 73.1 109.204 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -111.46 101.5 9.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.818 0.847 . . . . 73.41 109.499 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -145.44 141.28 28.24 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.28 0.632 . . . . 73.22 109.979 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 68.36 21.1 8.45 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.956 1.303 . . . . 73.33 110.811 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.29 -3.43 84.69 Favored Glycine 0 C--N 1.36 1.899 0 CA-C-N 115.728 -0.669 . . . . 63.05 113.345 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -103.2 160.91 14.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.154 0.982 . . . . 72.45 111.183 -172.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.545 HD13 ' HB3' ' A' ' 22' ' ' PHE . 8.9 tp -119.03 129.73 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.946 0.898 . . . . 72.22 109.455 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -125.49 121.77 34.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.31 1.044 . . . . 72.24 109.447 -175.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.3 tp -91.17 96.63 10.68 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.73 -0.841 . . . . 72.03 108.73 170.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -88.38 107.56 18.91 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.837 0.855 . . . . 74.22 110.401 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.558 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 58.3 t -68.44 115.5 6.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.518 0.727 . . . . 72.35 109.372 174.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.452 ' HA ' ' HE3' ' A' ' 34' ' ' MET . 21.2 mmt -77.16 150.92 35.49 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.276 1.03 . . . . 75.23 111.806 -177.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.438 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 20.0 p90 -67.15 -21.07 65.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.562 1.545 . . . . 75.4 111.597 172.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.3 116.31 10.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.396 0.678 . . . . 72.22 110.176 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -106.37 157.13 17.84 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.961 0.905 . . . . 74.43 108.838 169.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.29 -25.65 65.9 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.125 0.891 . . . . 71.15 112.857 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -77.95 13.71 1.32 Allowed 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.063 0.764 . . . . 75.2 113.063 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -103.23 142.05 34.84 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.591 0.756 . . . . 75.22 110.231 168.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -16.22 59.57 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.986 0.915 . . . . 71.23 110.87 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 m -83.59 0.84 45.0 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.858 0.863 . . . . 72.02 112.102 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -62.93 130.79 94.3 Favored Pre-proline 0 CA--C 1.559 1.319 0 C-N-CA 123.508 0.723 . . . . 71.32 110.429 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.59 -11.28 30.72 Favored 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 123.279 2.653 . . . . 71.43 113.755 -169.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.458 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 57.8 mtm -126.35 166.51 17.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.168 0.987 . . . . 75.23 110.062 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.52 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 90.9 m-20 -79.6 176.3 9.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.336 -0.847 . . . . 73.43 109.411 168.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.28 -40.59 86.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.371 0.668 . . . . 73.1 111.626 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -63.4 -50.75 68.62 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.537 -0.756 . . . . 73.13 109.702 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.5 mm-40 -65.36 -28.02 68.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.582 0.753 . . . . 71.23 111.667 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.413 ' CZ ' HD12 ' A' ' 54' ' ' LEU . 21.4 t80 -68.57 -49.29 60.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.498 0.719 . . . . 74.0 110.446 174.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -70.7 -30.57 67.17 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.163 -0.471 . . . . 75.41 109.963 -175.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.2 -39.44 78.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.433 0.693 . . . . 71.34 110.653 171.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -62.84 -34.16 76.75 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.013 0.925 . . . . 75.34 111.051 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' A' ' 7' ' ' ARG . 97.6 mt -69.93 -39.35 76.18 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.364 0.666 . . . . 71.11 110.536 178.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.26 -30.36 63.4 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.482 -0.781 . . . . 74.11 109.994 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -64.39 -44.16 92.18 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.437 1.095 . . . . 71.34 110.635 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG22 HG23 ' A' ' 20' ' ' VAL . 40.4 t -67.8 -46.93 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 115.531 -0.759 . . . . 75.32 110.58 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -26.19 68.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.97 0.908 . . . . 72.14 111.655 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -65.25 -45.65 83.72 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.104 0.961 . . . . 73.41 110.091 173.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -68.25 -31.98 71.84 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.066 -0.516 . . . . 72.41 111.575 174.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.18 -30.3 70.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 122.672 0.389 . . . . 72.24 111.014 178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -79.51 -42.24 25.65 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.393 0.277 . . . . 74.03 110.404 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.6 95.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.874 0.87 . . . . 43.35 111.867 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -87.1 -21.78 25.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.972 -1.013 . . . . 73.0 111.124 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.7 16.13 73.87 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.827 -0.509 . . . . 72.13 111.827 -169.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.73 -3.44 89.08 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 119.118 -0.823 . . . . 73.4 114.016 -177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.15 87.66 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 117.573 0.686 . . . . 72.14 111.136 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.79 -33.17 61.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 114.907 -1.042 . . . . 74.42 110.046 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -70.05 -35.13 74.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.248 0.619 . . . . 73.43 111.137 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.521 ' HA ' HG22 ' A' ' 89' ' ' ILE . 77.8 t -68.72 -47.96 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.457 0.703 . . . . 72.2 110.245 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 9.1 mtpm? -61.2 -44.6 97.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.659 0.784 . . . . 74.31 111.602 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.5 m -69.22 -41.82 76.54 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.345 0.658 . . . . 75.11 111.195 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.39 -50.52 67.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.162 -0.472 . . . . 73.45 109.851 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.43 ' HA ' HG21 ' A' ' 77' ' ' THR . 12.4 mt -63.24 -35.45 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.909 0.884 . . . . 74.24 111.673 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.8 m -60.96 -53.45 57.06 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.168 0.508 . . . . 74.01 110.748 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.53 -32.3 42.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.279 -0.873 . . . . 65.5 112.52 -170.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 74' ' ' ILE . 9.3 t -70.44 145.71 50.82 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.813 -0.439 . . . . 73.3 109.813 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -108.92 0.18 20.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.807 0.843 . . . . 74.1 109.623 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.46 152.4 36.17 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.776 0.83 . . . . 74.34 112.667 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.419 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 97.2 mtt180 -123.0 148.94 55.6 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-N 114.184 -1.371 . . . . 71.21 109.583 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.438 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 37.1 Cg_endo -64.37 122.73 10.76 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.611 2.207 . . . . 72.04 110.332 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 85' ' ' LYS . 43.3 ttm180 -128.16 146.65 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.421 -1.263 . . . . 75.24 107.789 -166.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.98 89.57 0.08 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.566 0.746 . . . . 75.41 110.497 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.32 -19.86 9.81 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 115.681 -0.69 . . . . 74.22 112.822 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.45 ' HD3' HH11 ' A' ' 82' ' ' ARG . 65.3 tttm -122.59 102.45 8.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.486 0.714 . . . . 75.3 110.033 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.88 147.02 29.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.86 0.864 . . . . 52.23 110.387 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.558 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 59.5 t -77.74 89.59 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.021 -1.103 . . . . 61.4 108.021 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -77.49 111.93 13.73 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.917 -0.772 . . . . 73.41 108.917 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.521 HG22 ' HA ' ' A' ' 70' ' ' VAL . 50.9 mt -101.83 100.28 14.21 Favored Pre-proline 0 CA--C 1.547 0.834 0 N-CA-C 108.746 -0.835 . . . . 73.43 108.746 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.98 113.26 3.35 Favored 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 122.013 1.809 . . . . 71.22 110.028 176.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.534 ' HB2' HG22 ' A' ' 29' ' ' ILE . 42.1 mt -77.84 95.3 4.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.398 -1.334 . . . . 62.43 107.398 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.45 102.15 0.39 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.045 -0.724 . . . . 75.54 109.045 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.7 mt -109.29 34.52 3.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.285 1.034 . . . . 72.21 108.297 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.33 -62.09 3.2 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.723 -0.671 . . . . 72.02 111.871 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -86.48 -58.79 2.48 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.011 0.524 . . . . 74.33 110.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -66.59 -7.2 18.65 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.925 1.29 . . . . 73.01 114.33 -167.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.21 -23.72 66.81 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.934 0.334 . . . . 64.22 111.029 169.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.1 p -69.4 -9.91 55.64 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.834 0.853 . . . . 74.11 112.629 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -55.7 -44.53 77.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.058 0.543 . . . . 72.4 111.794 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -86.44 -15.4 40.35 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 119.436 -0.316 . . . . 73.42 111.625 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.77 108.67 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 107.924 -1.139 . . . . 72.14 107.924 169.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 50.1 mm -109.81 125.3 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.68 -0.859 . . . . 75.5 108.68 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.18 -12.19 59.25 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.915 0.886 . . . . 74.54 111.305 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 N--CA 1.481 1.102 0 C-N-CA 123.096 0.559 . . . . 74.22 109.69 176.667 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.6 ttm . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 108.959 -0.756 . . . . 63.32 108.959 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p -107.64 166.72 10.47 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.717 0.807 . . . . 74.32 109.215 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.87 64.74 Favored Glycine 0 C--N 1.345 1.032 0 O-C-N 123.485 0.491 . . . . 54.43 112.663 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.51 -57.02 14.52 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.019 0.928 . . . . 74.53 109.772 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.67 -37.9 87.8 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.817 0.847 . . . . 75.43 111.793 -175.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 HD22 HG23 ' A' ' 20' ' ' VAL . 41.8 tp -65.78 -43.61 88.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.129 0.572 . . . . 74.42 110.438 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -61.82 -48.14 81.91 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 74.13 110.308 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.95 -20.67 65.93 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 114.927 -1.033 . . . . 75.21 111.726 -176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -72.67 -41.27 65.58 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.464 0.706 . . . . 64.42 110.251 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.88 -31.29 66.28 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.106 -0.952 . . . . 75.14 110.1 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.7 mt -78.4 -32.78 48.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.113 0.965 . . . . 71.21 111.413 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.39 -43.65 85.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.711 0.804 . . . . 71.05 110.189 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -89.09 -61.57 1.67 Allowed 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.14 -0.937 . . . . 74.3 110.93 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.437 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.2 m0 -98.51 -29.06 13.31 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.067 -0.515 . . . . 73.21 112.068 -170.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.46 19.69 61.66 Favored Glycine 0 N--CA 1.473 1.155 0 O-C-N 123.195 0.309 . . . . 52.11 113.762 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.22 139.13 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.578 -0.897 . . . . 73.54 108.578 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -84.74 74.81 10.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.662 -0.496 . . . . 71.53 109.662 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -71.08 155.19 41.08 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.767 0.427 . . . . 74.52 110.819 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -98.58 144.4 27.93 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.485 -0.561 . . . . 75.31 109.485 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG21 HG22 ' A' ' 57' ' ' VAL . 29.4 m -121.11 151.34 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.436 0.694 . . . . 75.22 110.098 -174.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -142.07 141.78 32.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.799 0.44 . . . . 73.33 111.465 -176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' HE2' ' HA ' ' A' ' 57' ' ' VAL . 72.8 m-85 -81.52 130.22 34.97 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.92 0.488 . . . . 75.13 110.153 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -124.96 129.82 51.11 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.783 -0.821 . . . . 64.4 108.783 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -113.75 106.93 15.08 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.552 0.741 . . . . 74.12 109.212 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -144.72 138.54 27.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.87 0.868 . . . . 73.43 109.318 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 64.6 20.76 12.25 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.868 1.267 . . . . 75.42 112.756 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.37 9.33 85.88 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 116.927 -0.124 . . . . 64.22 113.08 -174.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -103.51 168.54 9.09 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.242 1.017 . . . . 71.34 109.451 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.525 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.6 tp -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-O 121.562 0.696 . . . . 73.2 109.699 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -128.04 121.15 29.0 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.252 1.021 . . . . 73.45 109.38 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -90.45 98.02 11.53 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.118 -1.067 . . . . 75.1 108.118 173.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -85.01 109.79 18.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.4 0.68 . . . . 75.52 110.323 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 21.6 t -73.52 109.26 5.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.531 -0.915 . . . . 75.02 108.531 169.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.7 mmt -66.08 155.93 35.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.71 0.804 . . . . 75.11 111.206 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 29.4 p90 -77.53 -7.14 55.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.313 1.045 . . . . 70.55 111.354 176.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -90.37 139.81 30.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.385 0.674 . . . . 72.2 109.986 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -131.67 155.83 46.92 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.508 1.123 . . . . 74.24 109.5 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.68 -25.78 65.02 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.987 0.915 . . . . 75.43 113.226 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.46 -15.98 63.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 122.923 0.489 . . . . 71.54 112.016 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.94 144.98 54.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.424 0.689 . . . . 62.51 111.24 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.13 -16.88 39.01 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.31 1.044 . . . . 73.51 110.68 174.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -94.36 5.36 52.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.158 0.983 . . . . 72.52 111.393 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.54 123.71 85.27 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 123.342 0.657 . . . . 73.31 110.23 -175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -76.18 5.21 4.72 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 123.114 2.543 . . . . 72.22 115.013 -166.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtm -129.42 152.03 49.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.673 0.789 . . . . 73.42 109.524 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.536 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 80.6 m-20 -71.82 166.17 22.59 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.839 -0.8 . . . . 73.4 108.839 168.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.836 0.454 . . . . 64.21 111.034 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.0 m -63.48 -46.52 85.78 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.192 0.597 . . . . 75.2 110.377 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 26.3 mm-40 -63.05 -38.89 93.0 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.156 0.582 . . . . 72.14 110.986 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.466 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 27.0 t80 -62.53 -50.81 69.88 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.823 -1.081 . . . . 74.32 110.942 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -69.61 -37.89 77.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.943 0.897 . . . . 65.2 111.245 -173.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -69.85 -31.02 68.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.29 0.636 . . . . 62.22 111.165 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.63 -37.92 80.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.388 -0.369 . . . . 74.44 110.275 175.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 83.5 mt -63.22 -41.51 99.14 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.538 0.524 . . . . 74.5 110.718 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.08 -31.96 64.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.467 -0.788 . . . . 73.01 110.568 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 t -68.53 -37.3 79.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.798 0.839 . . . . 75.23 110.931 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.477 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 38.2 t -66.65 -49.17 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.657 -0.702 . . . . 75.44 109.589 174.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.43 69.29 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.419 1.088 . . . . 73.32 111.803 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -68.63 -42.19 78.38 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.882 0.873 . . . . 74.21 109.871 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.64 -36.48 78.66 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.626 0.37 . . . . 73.35 111.361 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.15 -21.79 66.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.275 0.63 . . . . 64.41 111.704 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -75.9 -54.18 7.28 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.132 0.973 . . . . 74.32 110.077 173.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.49 70.36 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.731 0.812 . . . . 74.01 111.644 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.517 ' HB3' HD13 ' A' ' 93' ' ' LEU . 85.4 mt -70.55 -29.11 65.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.209 1.004 . . . . 73.43 111.308 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.44 32.24 31.54 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.805 -0.634 . . . . 72.12 112.693 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -101.73 1.27 52.44 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 119.181 -0.788 . . . . 54.05 113.882 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.94 86.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.578 0.689 . . . . 74.21 112.305 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.11 -36.51 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.281 -0.872 . . . . 73.22 110.005 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.447 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 13.5 mm-40 -64.36 -38.67 91.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.433 0.693 . . . . 74.54 111.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 66' ' ' GLY . 98.1 t -68.35 -47.92 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.673 0.789 . . . . 63.13 110.256 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.7 -36.33 83.51 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.198 -0.91 . . . . 74.51 111.543 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -69.52 -47.91 62.21 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.29 0.636 . . . . 74.44 110.143 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.9 -58.18 7.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.923 0.489 . . . . 74.24 110.884 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.13 -47.66 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.872 0.869 . . . . 74.11 111.635 -173.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.7 m -64.73 -30.63 71.65 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.71 0.404 . . . . 74.12 111.675 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -99.82 -12.7 19.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.408 0.892 . . . . 72.03 113.408 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -87.81 146.1 25.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.679 0.672 . . . . 71.43 110.789 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -105.52 7.09 32.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.465 0.706 . . . . 75.21 110.221 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.29 142.26 37.91 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.537 0.735 . . . . 74.11 110.177 174.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.437 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 52.2 mtt180 -119.26 147.08 42.24 Favored Pre-proline 0 N--CA 1.472 0.645 0 C-N-CA 123.681 0.792 . . . . 74.11 109.873 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 24.1 Cg_exo -63.38 120.08 7.39 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.311 2.008 . . . . 71.13 110.934 171.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -126.72 159.35 33.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.625 0.77 . . . . 74.51 109.435 -175.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.8 tp -56.65 110.16 0.74 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.641 0.776 . . . . 63.14 111.61 -174.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.26 -30.06 10.65 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 123.58 0.55 . . . . 74.45 112.636 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -109.09 105.21 14.59 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.803 0.841 . . . . 73.14 110.873 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.02 150.64 24.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.591 0.756 . . . . 71.34 110.448 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 84.1 t -80.09 89.75 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 N-CA-C 108.635 -0.876 . . . . 72.25 108.635 173.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.7 t -76.86 98.8 4.98 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.199 1.0 . . . . 73.24 109.066 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.9 mt -82.33 108.49 11.96 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.866 0.866 . . . . 72.13 109.264 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.57 114.44 3.7 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.731 1.621 . . . . 75.22 111.053 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.525 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.0 mt -86.46 104.86 16.33 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 109.427 -0.583 . . . . 75.31 109.427 -178.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.447 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 15.8 t70 -75.7 97.62 3.87 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.226 -0.657 . . . . 72.41 109.226 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.517 HD13 ' HB3' ' A' ' 64' ' ' LEU . 47.7 mt -122.6 75.73 1.28 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.333 0.653 . . . . 74.51 110.066 -174.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -88.15 -92.02 1.06 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.501 -0.772 . . . . 64.25 111.578 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.52 -27.68 63.37 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.262 0.625 . . . . 65.41 111.813 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -69.91 -19.33 63.4 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.858 0.463 . . . . 74.13 111.764 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.48 -31.19 42.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.187 0.595 . . . . 63.21 110.314 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -74.53 -8.52 56.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.838 0.855 . . . . 73.43 113.131 -176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.99 -42.94 99.98 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.719 0.808 . . . . 73.34 111.579 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -101.5 -15.05 17.26 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.066 0.546 . . . . 64.12 112.366 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.98 100.62 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 107.574 -1.269 . . . . 73.45 107.574 166.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.25 105.5 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.928 0.891 . . . . 72.23 109.996 -176.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -120.22 99.07 6.37 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 108.665 -0.865 . . . . 63.51 108.665 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 CA--C 1.561 1.375 0 C-N-CA 123.573 0.749 . . . . 64.13 110.333 -177.226 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 ttp . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.45 -0.574 . . . . 74.13 109.45 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -82.3 -179.57 7.46 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.355 0.662 . . . . 72.25 110.151 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.98 -22.77 78.68 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.079 0.237 . . . . 62.15 112.91 172.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -62.01 -52.93 61.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.588 0.755 . . . . 72.25 109.225 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.399 -0.818 . . . . 73.52 112.153 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.474 HD22 HG22 ' A' ' 20' ' ' VAL . 55.5 tp -69.27 -42.43 75.55 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.215 0.606 . . . . 75.31 109.623 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.446 ' HB2' HD13 ' A' ' 54' ' ' LEU . 79.7 ttt180 -67.05 -43.45 82.68 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.926 -0.579 . . . . 75.51 110.917 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -60.4 -33.41 72.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.005 0.522 . . . . 75.55 110.425 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.78 -28.3 68.28 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.877 0.471 . . . . 74.21 111.125 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -85.11 -31.17 23.48 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.082 0.553 . . . . 64.33 110.811 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.91 -44.25 18.57 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.675 0.79 . . . . 71.23 111.874 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.29 -36.65 80.65 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.008 0.523 . . . . 71.42 111.063 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -75.17 -65.73 0.85 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.172 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -101.95 -39.03 7.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.33 -0.85 . . . . 74.3 111.381 -172.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.76 6.48 46.41 Favored Glycine 0 N--CA 1.477 1.379 0 CA-C-N 116.619 -0.264 . . . . 75.34 112.815 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.95 138.08 41.97 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.027 0.931 . . . . 75.53 109.509 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -90.27 93.79 9.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 74.31 109.548 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 62.3 m-85 -81.48 145.46 30.72 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.295 0.638 . . . . 75.23 110.439 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.7 p-10 -70.65 118.89 14.01 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.333 -0.617 . . . . 73.52 109.333 176.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.474 HG22 HD22 ' A' ' 6' ' ' LEU . 15.4 m -103.42 126.9 57.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.627 0.727 . . . . 63.12 109.688 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -122.63 -178.14 3.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.989 1.316 . . . . 73.43 109.884 -172.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.49 ' HB3' HD12 ' A' ' 29' ' ' ILE . 63.8 m-85 -121.5 142.23 50.26 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.212 0.529 . . . . 71.42 111.614 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.606 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 34.5 ttm180 -119.95 129.4 54.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.889 1.276 . . . . 74.22 108.302 172.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -119.75 98.99 6.37 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.31 -0.996 . . . . 73.55 108.31 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 t -141.0 135.32 31.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.971 0.508 . . . . 75.21 110.148 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 63.1 30.21 16.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.536 1.135 . . . . 74.2 111.306 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.05 6.82 69.31 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.721 -0.672 . . . . 74.22 113.776 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -104.9 155.92 18.49 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.909 0.884 . . . . 73.03 110.222 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -115.23 142.08 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.458 0.703 . . . . 74.3 109.29 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 73.8 m-85 -135.87 135.47 39.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.343 1.057 . . . . 75.1 108.701 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 39.3 tp -93.25 107.18 19.04 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.171 0.441 . . . . 74.33 109.928 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' HB3' ' HE2' ' A' ' 34' ' ' MET . 19.6 mm-40 -87.55 98.22 11.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.792 0.837 . . . . 75.1 112.097 -177.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -73.13 103.85 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 108.353 -0.98 . . . . 73.33 108.353 169.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.457 ' HE2' ' HB3' ' A' ' 32' ' ' GLN . 22.1 mmt -71.51 167.31 19.95 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.059 0.544 . . . . 74.43 111.112 -178.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -78.96 -18.2 54.15 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.76 0.824 . . . . 71.45 111.827 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.66 ' HZ1' ' HB2' ' A' ' 36' ' ' LYS . 7.0 mtmp? -85.31 146.22 27.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.965 0.506 . . . . 75.25 109.661 177.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 18' ' ' TYR . 11.7 p90 -138.3 159.44 42.04 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.191 0.996 . . . . 75.3 109.409 -177.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.517 HD23 ' HG3' ' A' ' 47' ' ' GLU . 59.4 tp -57.85 -25.25 60.45 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.061 0.945 . . . . 64.23 112.818 -172.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.09 29.5 0.34 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.201 0.6 . . . . 74.54 112.321 -174.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -100.3 155.37 17.82 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.237 1.015 . . . . 72.0 109.527 168.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -38.83 53.15 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.525 0.73 . . . . 63.14 110.947 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -111.93 76.03 0.95 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.661 0.785 . . . . 74.44 109.179 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.414 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 31.1 t80 -93.99 135.09 25.08 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 108.92 -0.77 . . . . 71.41 108.92 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HD2' ' CD1' ' A' ' 43' ' ' PHE . 8.8 Cg_endo -47.12 -34.23 17.0 Favored 'Trans proline' 0 C--N 1.385 2.497 0 C-N-CA 124.504 3.47 . . . . 74.31 114.936 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -116.21 152.28 34.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 74.12 109.82 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -74.43 165.14 25.7 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.069 -0.345 . . . . 74.41 110.069 170.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.517 ' HG3' HD23 ' A' ' 38' ' ' LEU . 38.4 tt0 -57.24 -50.01 74.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.823 0.849 . . . . 74.53 112.767 -174.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -66.46 -40.43 89.38 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.456 0.472 . . . . 74.04 110.669 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.6 -42.58 95.48 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.428 -0.805 . . . . 72.4 110.49 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -66.51 -43.82 84.23 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.49 -1.232 . . . . 74.34 111.326 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -64.01 -42.77 97.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.144 0.578 . . . . 73.54 110.981 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.81 -23.67 58.52 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.339 -0.846 . . . . 65.21 110.833 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -74.36 -32.69 62.87 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.867 0.467 . . . . 74.32 110.325 173.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 7' ' ' ARG . 85.9 mt -64.1 -36.99 85.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.882 0.473 . . . . 75.53 110.026 173.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.58 -30.57 65.98 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.118 -0.946 . . . . 75.2 110.675 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -68.85 -43.98 74.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.493 0.717 . . . . 65.13 110.479 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 52.9 t -64.53 -45.72 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.419 0.688 . . . . 74.31 110.29 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -67.7 -27.5 66.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 72.25 111.403 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -67.32 -41.08 85.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.479 -0.782 . . . . 73.23 110.219 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.734 0.413 . . . . 74.21 111.372 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 89.8 mt -61.49 -38.38 87.09 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.812 -0.631 . . . . 72.43 110.397 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -75.52 -37.63 59.96 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.965 0.506 . . . . 73.42 110.695 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.37 68.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.622 0.769 . . . . 75.32 112.168 -174.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.1 mt -98.6 -26.09 14.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.734 0.813 . . . . 75.13 110.391 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 3.47 56.99 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.837 -0.62 . . . . 74.13 113.182 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -82.17 5.77 70.52 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 119.189 -0.784 . . . . 60.13 114.463 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.86 71.08 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 117.667 0.733 . . . . 64.15 111.977 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.82 -34.83 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 115.785 -0.643 . . . . 74.02 110.409 175.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.88 -36.77 85.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.24 0.616 . . . . 71.21 111.365 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.538 ' HA ' HG22 ' A' ' 89' ' ' ILE . 90.4 t -67.59 -51.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.294 0.638 . . . . 64.34 110.69 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.47 -48.15 82.77 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.883 -1.053 . . . . 55.43 111.378 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.1 m -63.97 -44.54 92.41 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.745 0.818 . . . . 74.33 111.428 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.41 -49.99 71.58 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.57 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.65 -31.82 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.34 0.656 . . . . 74.53 111.469 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.23 -36.64 82.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.868 0.467 . . . . 52.22 111.408 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -84.59 -57.69 3.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.168 0.587 . . . . 73.23 111.889 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.7 t -58.03 151.7 18.07 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.937 0.895 . . . . 75.44 111.785 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -129.3 20.25 5.77 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.889 0.876 . . . . 72.4 109.127 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.48 143.86 36.27 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.782 0.833 . . . . 74.11 110.777 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -114.52 136.69 22.41 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.961 0.904 . . . . 74.4 110.813 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.01 125.4 15.8 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.229 2.619 . . . . 60.45 113.308 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB3' ' HB2' ' A' ' 85' ' ' LYS . 70.4 ttt180 -127.73 158.21 38.26 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.309 1.444 . . . . 75.13 108.887 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.53 104.84 0.37 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.66 0.664 . . . . 74.34 109.617 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.39 -33.59 5.6 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 111.749 -0.54 . . . . 71.42 111.749 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 5.9 mptp? -103.57 112.06 24.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.581 0.752 . . . . 75.1 110.183 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.4 38.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.517 0.727 . . . . 72.21 109.188 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 40.3 t -80.2 89.36 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 108.414 -0.958 . . . . 75.34 108.414 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 t -77.48 102.68 7.01 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.083 -1.08 . . . . 71.24 108.083 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.538 HG22 ' HA ' ' A' ' 70' ' ' VAL . 71.8 mt -82.89 110.4 22.74 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 124.071 0.948 . . . . 74.44 109.165 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.3 113.08 3.68 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 121.789 1.659 . . . . 74.32 111.469 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.428 HD11 HG22 ' A' ' 29' ' ' ILE . 26.1 mt -89.01 93.09 9.48 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.937 -1.134 . . . . 72.31 107.937 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.94 84.26 3.48 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 114.947 -1.024 . . . . 63.32 109.492 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 95.2 mt -114.01 75.88 0.95 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 114.805 -1.089 . . . . 74.42 111.113 -170.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.31 -91.05 0.93 Allowed Glycine 0 C--N 1.341 0.828 0 N-CA-C 110.835 -0.906 . . . . 73.23 110.835 169.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.71 -32.68 72.65 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.137 0.575 . . . . 73.21 111.232 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -70.41 -24.94 63.01 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 116.591 -0.277 . . . . 75.41 111.702 -173.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.626 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . . . -77.84 -35.47 51.12 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.172 0.51 . . . . 74.45 110.331 168.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -74.89 -9.06 58.18 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.768 0.827 . . . . 64.31 112.383 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.36 -43.46 98.76 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.921 0.488 . . . . 71.11 111.851 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 23.6 p-90 -95.11 -2.43 50.0 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.639 -0.71 . . . . 73.55 111.745 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.6 mp -101.57 110.96 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 108.171 -1.048 . . . . 74.55 108.171 168.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.2 mm -106.28 92.64 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.546 0.738 . . . . 70.31 109.24 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.2 mt -78.01 104.5 8.61 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.549 0.74 . . . . 73.15 110.386 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.256 1.4 0 C-N-CA 124.053 0.941 . . . . 64.04 109.355 178.796 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttm . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 109.111 -0.7 . . . . 74.14 109.111 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.8 t -91.03 162.53 14.67 Favored 'General case' 0 C--O 1.247 0.959 0 N-CA-C 109.637 -0.505 . . . . 71.44 109.637 168.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.57 -18.75 59.38 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 115.62 -0.718 . . . . 74.22 113.902 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.92 -36.39 69.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.34 0.656 . . . . 75.2 110.386 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -66.4 -48.67 69.31 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.22 0.534 . . . . 62.05 110.249 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD23 HG22 ' A' ' 20' ' ' VAL . 24.7 tp -65.6 -39.46 91.57 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.389 -1.278 . . . . 72.41 110.585 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.13 -53.18 61.0 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.102 0.961 . . . . 74.54 109.929 173.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.96 83.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.898 -1.046 . . . . 73.15 109.829 -176.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.39 -36.29 83.66 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.525 0.73 . . . . 73.52 111.414 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.0 mt -77.93 -31.78 51.2 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.188 0.595 . . . . 75.25 110.334 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.56 -25.41 50.06 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.629 0.772 . . . . 73.24 111.465 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.31 -46.31 16.37 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.896 0.878 . . . . 74.25 108.87 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -74.41 -60.33 2.32 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.01 -0.996 . . . . 72.44 111.847 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -105.81 -24.01 12.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.153 0.581 . . . . 73.52 112.031 -170.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.43 17.72 70.55 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 113.37 0.108 . . . . 73.31 113.37 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -135.48 141.95 45.42 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.747 0.819 . . . . 74.41 109.688 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 p -83.76 73.45 10.28 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.061 -0.972 . . . . 73.44 110.398 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -71.31 156.8 39.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.365 0.666 . . . . 74.24 112.574 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.54 126.17 42.67 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.426 -0.953 . . . . 71.32 108.426 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.667 HG22 HD23 ' A' ' 6' ' ' LEU . 30.8 m -105.28 135.57 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.294 0.637 . . . . 65.3 109.438 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.45 128.28 37.11 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.67 0.388 . . . . 75.15 110.853 -173.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' HB3' HD13 ' A' ' 29' ' ' ILE . 47.4 m-85 -67.69 149.21 50.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.2 0.6 . . . . 72.24 111.212 172.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -159.62 122.66 3.57 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.522 -0.763 . . . . 75.32 109.601 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -92.61 104.52 16.8 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.438 -0.949 . . . . 74.0 108.438 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -142.02 140.27 32.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.569 0.748 . . . . 74.23 109.631 -175.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 65.13 16.71 10.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.541 1.136 . . . . 73.45 112.193 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.27 -14.42 62.37 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.762 0.696 . . . . 40.52 112.546 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 51.4 mttm -108.55 162.85 13.75 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.731 0.813 . . . . 75.42 110.918 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -92.29 135.59 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 109.126 -0.694 . . . . 72.32 109.126 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 28' ' ' LYS . 66.5 m-85 -130.43 145.92 51.9 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.506 1.122 . . . . 70.34 108.797 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -106.63 97.65 7.42 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.038 -0.727 . . . . 74.4 109.038 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -87.97 109.46 19.83 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.889 0.376 . . . . 72.31 110.604 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.631 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 47.4 t -68.92 107.95 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.323 -0.853 . . . . 73.42 109.149 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.4 mmt -66.98 155.55 38.3 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.454 0.702 . . . . 72.44 111.413 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -70.54 -9.59 57.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.904 1.282 . . . . 74.03 111.603 171.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -75.82 128.43 35.13 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.136 0.974 . . . . 74.02 109.569 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -138.01 153.24 49.41 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.795 0.838 . . . . 72.4 110.063 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 tp -65.25 -17.68 64.7 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.7 0.8 . . . . 73.54 112.704 -168.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.72 -29.09 70.35 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.491 0.716 . . . . 75.33 111.487 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -84.2 139.67 32.23 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.032 0.533 . . . . 63.4 110.133 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.52 3.62 35.68 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.041 0.936 . . . . 75.02 111.783 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 m -102.56 17.2 24.27 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.579 0.752 . . . . 74.41 111.255 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.24 134.06 93.39 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 123.838 0.855 . . . . 75.11 110.72 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -52.78 -36.98 75.56 Favored 'Trans proline' 0 C--N 1.384 2.416 0 C-N-CA 123.842 3.028 . . . . 75.31 114.899 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -112.14 176.91 4.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.511 0.672 . . . . 74.22 111.065 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -84.09 -175.17 5.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 114.893 -1.049 . . . . 62.44 109.927 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.62 -59.9 4.02 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.113 0.965 . . . . 72.02 111.208 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 m -64.51 -42.17 95.97 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.43 0.692 . . . . 74.14 110.191 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.2 -39.73 75.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.646 0.778 . . . . 73.34 111.758 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.413 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 19.7 t80 -65.48 -47.18 76.96 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.396 0.678 . . . . 72.31 111.366 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -66.69 -35.56 80.42 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.975 0.416 . . . . 72.53 110.844 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.66 -23.36 49.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.613 0.765 . . . . 73.11 111.098 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.24 -45.9 82.77 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 109.238 -0.653 . . . . 64.44 109.238 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.413 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 95.0 mt -61.11 -39.71 91.04 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.76 0.662 . . . . 75.32 110.449 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.35 -32.41 70.1 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.153 0.908 . . . . 72.21 111.151 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -72.87 -41.55 64.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.545 -0.752 . . . . 75.23 110.352 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.13 -49.34 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.402 -0.817 . . . . 74.02 110.003 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -24.74 67.27 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 124.301 1.04 . . . . 74.3 112.059 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -62.81 -49.46 74.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.09 0.956 . . . . 73.0 109.988 171.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -72.47 -26.35 61.78 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.318 -0.401 . . . . 71.22 112.003 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.16 -40.16 95.54 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.077 -0.342 . . . . 74.44 110.077 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.13 -50.08 51.23 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.755 -0.657 . . . . 73.0 109.897 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 -50.49 73.1 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.573 1.149 . . . . 73.11 113.058 -172.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.17 -14.22 53.88 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.657 -0.701 . . . . 62.5 111.571 -175.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.52 30.82 39.06 Favored Glycine 0 C--N 1.354 1.539 0 O-C-N 123.417 0.448 . . . . 73.12 112.715 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.56 12.04 35.84 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.692 -0.504 . . . . 75.33 113.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.32 66.19 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.085 0.554 . . . . 52.11 111.652 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.95 -31.09 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 115.343 -0.844 . . . . 75.32 110.177 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.5 mm-40 -63.45 -38.4 90.98 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.959 0.504 . . . . 74.44 110.948 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -70.96 -47.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.544 0.738 . . . . 75.42 110.981 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.34 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.129 0.572 . . . . 74.24 111.23 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.6 m -63.87 -48.47 76.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.508 0.723 . . . . 73.42 110.599 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.418 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.1 t80 -66.72 -53.93 28.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.976 -0.556 . . . . 74.42 111.025 -174.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mt -57.33 -40.42 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.481 0.712 . . . . 75.52 111.108 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -69.91 -52.03 28.06 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 122.424 0.29 . . . . 73.21 111.688 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.94 -20.68 60.3 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 112.954 0.724 . . . . 74.52 112.954 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -79.92 178.01 8.51 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -149.77 21.88 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.597 0.759 . . . . 75.22 109.058 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -85.85 128.64 34.87 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.669 -0.696 . . . . 73.32 109.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -95.42 135.39 23.26 Favored Pre-proline 0 C--O 1.241 0.648 0 O-C-N 124.174 0.922 . . . . 74.32 109.366 -177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.28 119.29 6.29 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.455 2.103 . . . . 74.12 110.317 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 74.3 ttt180 -124.36 163.71 21.16 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.175 0.99 . . . . 71.13 108.604 -176.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.24 111.59 1.26 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.805 0.442 . . . . 71.22 111.061 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.11 5.26 83.35 Favored Glycine 0 N--CA 1.478 1.492 0 O-C-N 123.325 0.391 . . . . 71.42 113.261 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 62.8 tttm -129.17 103.61 7.07 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.774 1.23 . . . . 72.01 109.722 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.4 159.66 15.86 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.899 0.479 . . . . 71.22 111.021 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.631 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 57.9 t -98.66 90.35 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.717 -1.216 . . . . 75.32 107.717 171.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -80.63 103.52 10.54 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.454 0.702 . . . . 62.14 109.613 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.418 HG12 ' CD2' ' A' ' 73' ' ' PHE . 69.0 mt -81.41 116.6 63.88 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.174 0.99 . . . . 74.53 109.632 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.99 113.5 3.8 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 121.919 1.746 . . . . 74.41 111.287 175.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.17 93.32 9.0 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.611 -1.255 . . . . 74.11 107.611 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.474 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 32.0 t70 -68.64 86.68 0.32 Allowed 'General case' 0 C--O 1.243 0.711 0 CA-C-N 114.963 -1.017 . . . . 71.32 109.911 -176.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.4 mt -124.37 51.17 1.61 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.5 1.12 . . . . 71.21 109.0 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -82.52 -63.65 1.76 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 111.196 -0.762 . . . . 71.32 111.196 171.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -92.51 -27.96 17.1 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.516 0.726 . . . . 72.44 109.772 175.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -71.04 -6.65 40.66 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.787 0.835 . . . . 72.43 111.474 170.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.96 -18.11 8.39 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.342 0.657 . . . . 61.31 112.166 170.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.8 m -64.61 -11.26 33.15 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 124.039 0.936 . . . . 75.11 113.486 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.92 -45.89 90.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.039 0.536 . . . . 74.52 110.459 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -104.12 -18.15 14.64 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.513 0.725 . . . . 74.44 112.355 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.37 97.71 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 107.214 -1.402 . . . . 74.21 107.214 166.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.3 mm -116.19 89.23 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.023 0.929 . . . . 70.12 108.947 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.05 58.21 0.72 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.443 -0.947 . . . . 73.4 108.443 173.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 CA--C 1.562 1.411 0 CA-C-N 114.08 -1.418 . . . . 73.14 111.3 -179.626 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 61.0 ttp . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.806 -0.442 . . . . 73.21 109.806 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.472 HG21 ' HG2' ' A' ' 5' ' ' GLU . 9.9 t -81.34 173.62 12.3 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.616 0.766 . . . . 74.12 109.392 171.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.67 60.18 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.067 -0.296 . . . . 63.34 113.687 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.13 -42.19 69.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.089 0.556 . . . . 74.25 109.783 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 34.4 mm-40 -72.39 -37.6 68.66 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.851 0.46 . . . . 74.31 110.688 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.3 tp -64.94 -36.87 85.77 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.069 -0.514 . . . . 73.31 110.436 176.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -59.2 -52.95 63.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.07 0.948 . . . . 75.24 110.14 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -65.83 -24.34 66.87 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.117 -0.947 . . . . 75.35 111.942 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.34 -39.37 85.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.905 0.482 . . . . 73.34 109.993 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.3 mt -78.08 -36.42 48.21 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.558 0.743 . . . . 74.35 110.124 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.73 -31.07 66.31 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.839 0.856 . . . . 75.51 112.23 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.26 -38.93 55.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.722 0.809 . . . . 74.51 109.996 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -80.01 -66.0 0.93 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.031 -0.531 . . . . 74.23 111.254 -173.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.45 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.2 m-90 -105.56 -4.09 21.59 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.401 -0.818 . . . . 71.35 111.848 -171.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.05 7.08 84.0 Favored Glycine 0 C--N 1.35 1.328 0 N-CA-C 114.008 0.363 . . . . 73.43 114.008 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -141.69 145.73 35.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.166 0.986 . . . . 74.41 109.534 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.8 p -90.36 90.84 8.22 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.721 0.809 . . . . 75.2 110.122 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.43 151.23 24.79 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.462 0.705 . . . . 73.01 111.87 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.07 137.26 51.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.9 -0.778 . . . . 54.23 108.9 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG22 HG23 ' A' ' 57' ' ' VAL . 6.9 m -122.98 125.62 72.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.443 -0.947 . . . . 73.3 108.443 175.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -126.79 133.9 50.7 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.184 0.594 . . . . 74.43 109.727 -176.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 29' ' ' ILE . 69.0 m-85 -66.94 142.61 57.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.569 0.748 . . . . 74.53 110.55 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -130.23 106.03 8.31 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -94.5 97.69 10.33 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.154 -1.054 . . . . 75.51 108.154 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -142.69 140.76 31.65 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.985 0.914 . . . . 61.42 109.346 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 65.51 21.12 11.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.405 1.482 . . . . 73.13 110.847 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.32 0.26 86.11 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 116.377 -0.374 . . . . 72.24 113.376 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -106.04 179.84 4.15 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.212 1.005 . . . . 74.42 110.371 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.525 HD12 ' HB3' ' A' ' 22' ' ' PHE . 7.0 tp -133.4 128.56 55.28 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 121.605 0.716 . . . . 70.43 110.656 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -129.78 124.8 34.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.486 1.114 . . . . 73.42 108.46 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -89.89 98.14 11.6 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.564 -0.902 . . . . 64.41 108.564 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -88.15 112.77 23.09 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.047 0.539 . . . . 71.32 111.288 -175.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.8 t -73.8 114.67 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.063 -0.972 . . . . 72.12 109.336 174.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.8 mmt -69.69 161.83 28.94 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.92 0.888 . . . . 64.44 111.284 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -82.07 -9.19 59.62 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.947 1.299 . . . . 75.22 110.159 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.0 116.83 22.43 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.78 0.832 . . . . 74.42 109.668 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -113.79 157.87 21.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.266 0.626 . . . . 74.53 110.357 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.26 -30.85 69.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.074 0.95 . . . . 74.14 112.905 -170.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.46 -16.33 63.86 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.501 0.72 . . . . 71.22 112.124 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.49 138.06 46.76 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.135 0.574 . . . . 63.33 109.756 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.81 63.7 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.02 0.928 . . . . 72.34 111.728 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.8 m -90.25 10.54 24.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.826 0.85 . . . . 64.31 112.572 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.81 129.07 93.59 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-O 118.936 -0.554 . . . . 74.31 110.015 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -63.91 -31.68 66.94 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.934 2.423 . . . . 74.45 114.23 -169.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 mtm -104.58 157.67 17.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.159 0.583 . . . . 73.15 110.733 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.601 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 52.0 m-80 -74.22 168.37 19.73 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.178 -0.465 . . . . 75.44 109.834 170.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.03 -40.76 97.03 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.842 0.857 . . . . 72.3 111.411 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 m -63.39 -48.74 76.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.727 0.811 . . . . 73.24 109.99 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.601 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.2 mm-40 -62.41 -37.52 86.13 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.552 0.741 . . . . 71.01 110.73 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -68.29 -41.33 81.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.916 0.886 . . . . 73.44 111.334 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -65.39 -43.63 90.07 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.012 0.434 . . . . 74.23 110.226 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.32 -29.06 68.53 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 115.235 -0.893 . . . . 75.34 110.717 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -68.46 -40.72 80.96 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.004 0.922 . . . . 73.25 110.072 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.52 -43.32 99.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.751 0.657 . . . . 75.1 110.363 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.56 -27.57 58.66 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.583 -0.735 . . . . 71.11 110.771 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.2 t -72.56 -36.81 68.31 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.054 0.542 . . . . 75.54 110.913 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 HG22 ' A' ' 20' ' ' VAL . 40.9 t -67.27 -51.71 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.237 -0.653 . . . . 71.43 109.237 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -22.23 65.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.979 0.911 . . . . 72.43 112.121 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.52 -45.67 78.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 71.42 110.656 174.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -75.52 -27.41 58.73 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.899 0.48 . . . . 73.5 111.014 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 91.9 mt -71.04 -29.79 65.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.087 0.47 . . . . 71.52 110.001 174.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -75.01 -45.84 39.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.921 0.888 . . . . 75.32 109.634 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.43 62.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.559 0.744 . . . . 72.32 111.782 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -83.12 -11.13 58.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.118 0.967 . . . . 73.34 112.117 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.97 17.31 79.96 Favored Glycine 0 C--N 1.351 1.389 0 O-C-N 123.376 0.422 . . . . 61.31 112.543 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.58 3.62 86.88 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.676 -0.513 . . . . 53.35 113.994 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.03 84.23 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.274 0.537 . . . . 72.44 111.514 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.74 -37.15 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.071 0.857 . . . . 72.23 110.064 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.59 -45.72 91.6 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.62 0.768 . . . . 73.02 112.46 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 89' ' ' ILE . 67.2 t -65.19 -46.88 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.675 0.79 . . . . 73.31 110.328 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 9.2 mtpm? -65.75 -41.27 92.32 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.797 -1.092 . . . . 73.43 111.498 -176.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -45.64 72.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.298 1.039 . . . . 73.54 110.416 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -62.13 -55.88 24.43 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.22 -0.9 . . . . 73.23 110.115 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.89 -32.85 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.453 0 C-N-CA 124.214 1.006 . . . . 74.42 111.835 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.5 m -68.88 -42.81 76.49 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.268 0.627 . . . . 74.3 111.238 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.05 -39.99 22.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.366 0.666 . . . . 72.13 112.751 -174.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 t -77.72 160.23 28.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.071 0.548 . . . . 71.1 109.689 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -125.16 12.7 8.3 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.599 0.759 . . . . 75.32 109.943 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.65 138.05 46.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.045 0.538 . . . . 75.4 110.869 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 89.8 mtt180 -107.18 142.96 26.17 Favored Pre-proline 0 N--CA 1.474 0.756 0 CA-C-N 114.976 -1.011 . . . . 74.53 109.869 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.9 118.17 5.18 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.296 1.997 . . . . 75.43 111.12 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.643 ' HB2' ' HB3' ' A' ' 85' ' ' LYS . 36.0 mmt180 -97.24 177.95 5.4 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.533 1.133 . . . . 72.31 111.242 -174.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.7 tp -81.31 92.42 6.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.823 -1.08 . . . . 74.3 109.577 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.74 -34.4 5.68 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.43 -0.805 . . . . 61.33 111.839 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 23.5 tptm -95.27 104.44 16.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.385 -0.598 . . . . 72.22 109.385 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.31 148.7 27.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.443 0.697 . . . . 55.53 110.383 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 63.2 t -74.84 89.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.293 -1.003 . . . . 64.42 108.293 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.0 t -78.12 94.48 4.71 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.465 -0.789 . . . . 74.51 108.964 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.474 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -79.35 108.31 8.31 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 123.848 0.859 . . . . 73.52 109.568 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.5 115.22 4.26 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 121.704 1.603 . . . . 70.54 110.839 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' ' 29' ' ' ILE . 64.7 mt -83.55 95.96 8.48 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.748 -0.834 . . . . 72.54 108.748 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.11 90.82 2.53 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.64 0.733 . . . . 72.21 109.076 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 58.4 mt -93.38 49.59 1.41 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.19 -0.914 . . . . 73.11 109.694 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.12 -88.37 0.1 OUTLIER Glycine 0 C--N 1.351 1.416 0 N-CA-C 111.221 -0.752 . . . . 73.11 111.221 174.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -73.24 -22.81 60.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.357 0.663 . . . . 74.33 110.406 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.485 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 27.3 mmm180 -67.73 -19.12 65.11 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.115 0.566 . . . . 72.24 112.101 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.69 69.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.725 0.41 . . . . 75.03 111.569 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.562 ' HA ' ' HB ' ' A' ' 101' ' ' ILE . 10.7 t -76.42 -8.37 57.0 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.331 0.493 . . . . 74.24 112.331 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.65 -33.08 74.24 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.042 0.448 . . . . 74.12 110.877 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 25.7 p-90 -103.74 -0.64 29.12 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.643 0.608 . . . . 72.43 112.643 175.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.562 ' HB ' ' HA ' ' A' ' 98' ' ' SER . 1.7 mp -96.77 109.02 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.066 -1.087 . . . . 75.25 108.066 169.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.32 108.49 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 C-N-CA 124.075 0.95 . . . . 61.1 109.08 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -118.09 70.02 0.8 Allowed 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 107.52 -1.289 . . . . 73.24 107.52 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 124.048 0.939 . . . . 75.15 109.832 -174.614 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.6 p . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 107.968 -1.123 . . . . 73.15 107.968 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.11 67.54 Favored Glycine 0 C--N 1.347 1.178 0 N-CA-C 112.012 -0.435 . . . . 62.13 112.012 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.19 -58.51 7.5 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.591 1.156 . . . . 74.31 110.126 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -58.32 -33.84 69.95 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.496 0.719 . . . . 62.05 111.367 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD21 HG21 ' A' ' 20' ' ' VAL . 19.2 tp -68.51 -52.84 27.83 Favored 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.187 0.929 . . . . 72.42 110.484 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HD2' ' OE1' ' A' ' 51' ' ' GLN . 11.5 ptm85 -64.21 -38.57 91.54 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.348 0.405 . . . . 73.32 111.123 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -66.93 -30.58 70.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.105 0.562 . . . . 64.05 110.593 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.4 tp -69.81 -34.05 73.17 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.084 0.554 . . . . 64.13 110.171 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.2 mt -78.12 -38.09 44.73 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.538 0.735 . . . . 72.51 110.937 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.43 -44.64 28.41 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.037 0.935 . . . . 75.12 111.223 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 -32.98 74.95 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.886 0.475 . . . . 70.12 110.834 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -81.29 -65.84 0.96 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.973 -0.558 . . . . 61.42 111.474 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.543 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 7.3 m0 -105.84 -11.28 16.29 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.775 0.83 . . . . 73.2 112.241 -168.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.54 16.78 77.14 Favored Glycine 0 N--CA 1.471 1.025 0 CA-C-O 119.882 -0.399 . . . . 63.43 113.534 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 83.2 m-85 -144.49 148.2 34.23 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.24 1.016 . . . . 71.04 109.164 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.6 p -93.79 93.33 7.91 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.447 0.699 . . . . 75.54 109.525 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.5 m-85 -83.11 158.74 22.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.796 0.838 . . . . 72.2 112.68 -174.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -79.56 143.18 35.05 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.072 -0.967 . . . . 70.11 108.588 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.689 HG21 HD21 ' A' ' 6' ' ' LEU . 16.3 m -131.12 127.09 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.732 0.813 . . . . 62.41 108.916 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -135.01 145.11 47.76 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.382 0.673 . . . . 73.1 110.424 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.617 ' HB3' HD11 ' A' ' 29' ' ' ILE . 79.8 m-85 -80.96 147.38 30.27 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.857 0.863 . . . . 75.41 110.645 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -145.51 132.0 19.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.413 0.685 . . . . 75.24 109.677 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.7 128.14 49.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.2 1.0 . . . . 74.23 109.568 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 t -143.68 128.8 18.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.73 0.812 . . . . 74.43 109.341 174.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 69.09 -3.56 1.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.108 1.363 . . . . 73.32 112.936 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.76 9.55 37.37 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 122.294 -0.254 . . . . 73.13 112.702 -171.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -100.67 154.25 18.75 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.442 1.097 . . . . 71.53 108.668 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 22' ' ' PHE . 9.5 tp -113.69 133.28 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.418 -0.586 . . . . 55.41 109.418 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -127.6 141.72 51.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.538 1.135 . . . . 73.03 109.058 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -101.42 100.27 10.72 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.812 -0.81 . . . . 74.21 108.812 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -86.86 107.01 18.14 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 123.48 0.712 . . . . 71.02 110.422 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 43.0 t -72.76 107.86 3.73 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-N 115.136 -0.938 . . . . 61.23 108.781 171.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -66.64 153.71 42.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.852 0.861 . . . . 72.12 110.706 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.0 p90 -79.78 -4.65 52.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.05 0.94 . . . . 72.21 111.798 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -88.9 133.95 34.12 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.637 0.775 . . . . 61.42 109.095 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HD1' ' HB2' ' A' ' 39' ' ' GLU . 10.8 p90 -133.42 157.6 45.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.14 0.976 . . . . 74.4 110.022 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.1 -19.19 65.87 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.4 0.68 . . . . 75.02 112.115 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' HD1' ' A' ' 37' ' ' TYR . 53.2 mp0 -73.66 -16.6 61.21 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.292 0.637 . . . . 44.13 110.867 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -70.02 137.0 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.604 0.761 . . . . 53.31 110.005 168.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.65 85.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.892 0.877 . . . . 61.11 111.484 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -97.6 40.67 1.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.033 0.933 . . . . 75.52 111.678 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -81.63 129.76 64.24 Favored Pre-proline 0 CA--C 1.565 1.52 0 N-CA-C 109.965 -0.383 . . . . 71.33 109.965 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.83 -6.98 20.36 Favored 'Trans proline' 0 C--N 1.391 2.78 0 C-N-CA 123.445 2.763 . . . . 70.24 114.696 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.6 mtm -121.94 144.05 49.1 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.388 0.675 . . . . 73.41 109.928 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -77.07 175.68 9.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.038 -0.528 . . . . 74.44 109.934 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.9 -47.06 86.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.757 0.823 . . . . 64.22 112.315 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.9 m -71.44 -46.41 60.13 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.022 0.529 . . . . 75.03 110.828 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.41 -39.43 87.34 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.826 0.85 . . . . 71.23 111.252 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.523 1.139 . . . . 64.04 110.478 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' OE1' ' HD2' ' A' ' 7' ' ' ARG . 54.9 tp60 -72.91 -37.72 67.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.773 0.429 . . . . 72.4 110.929 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.5 -32.39 73.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.717 0.807 . . . . 74.42 109.948 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -65.75 -46.71 77.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.237 1.015 . . . . 72.42 109.746 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 7' ' ' ARG . 95.2 mt -59.83 -42.72 94.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.681 0.613 . . . . 73.22 111.081 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -74.82 -27.22 60.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 124.05 0.844 . . . . 73.44 110.604 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 t -72.38 -41.75 65.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.177 0.591 . . . . 43.23 110.083 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.45 -46.6 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.108 0.963 . . . . 73.05 110.085 173.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -28.85 69.09 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.432 1.093 . . . . 61.42 111.511 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -62.01 -44.17 97.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.891 0.876 . . . . 65.24 109.879 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -70.02 -39.29 75.9 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.461 0.704 . . . . 71.02 111.22 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.68 -36.56 76.72 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.76 0.424 . . . . 62.44 110.416 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -72.9 -45.07 60.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.989 0.916 . . . . 72.41 110.738 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.54 95.7 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.064 0.945 . . . . 74.1 111.774 -175.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -89.21 -22.25 22.86 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.95 0.9 . . . . 73.52 111.475 -174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.87 12.22 69.03 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 116.631 -0.259 . . . . 64.12 112.609 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.21 -1.45 89.52 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 120.137 -0.257 . . . . 72.05 113.043 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.02 88.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.762 0.825 . . . . 70.42 111.824 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.99 -40.14 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.152 0.907 . . . . 63.51 109.283 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.515 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.3 mm-40 -63.48 -36.32 83.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.848 0.859 . . . . 63.34 111.3 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.08 -46.16 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.672 0.789 . . . . 64.33 110.513 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.63 -18.59 62.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.829 0.851 . . . . 72.01 112.312 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -90.12 -41.09 11.85 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.315 0.646 . . . . 75.21 109.826 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -68.32 -62.17 1.51 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.877 0.471 . . . . 60.45 110.521 -174.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.5 mt -58.53 -46.21 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.986 0.803 . . . . 71.0 111.625 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -62.06 -40.48 95.91 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 123.435 0.459 . . . . 55.41 111.516 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -83.3 -36.88 24.12 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.235 0.457 . . . . 73.04 112.235 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.6 t -72.95 155.66 39.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.577 0.351 . . . . 62.54 111.04 -172.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -105.86 4.2 29.45 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.505 0.722 . . . . 73.22 110.447 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -62.63 140.36 58.68 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.631 0.772 . . . . 72.44 111.38 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.543 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 42.8 mtt180 -119.46 137.92 25.95 Favored Pre-proline 0 C--O 1.243 0.729 0 C-N-CA 124.333 1.053 . . . . 74.44 108.753 167.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 33.2 Cg_endo -66.49 120.34 7.46 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 121.916 1.744 . . . . 64.42 110.347 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -125.11 156.57 38.1 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.572 1.549 . . . . 74.11 109.14 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 60.5 tp -56.33 99.48 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.844 0.858 . . . . 73.0 110.888 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.72 -26.88 11.06 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.418 -0.81 . . . . 62.14 113.309 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -112.65 103.23 11.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.671 -0.863 . . . . 71.22 108.671 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.38 145.52 24.88 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.198 -0.667 . . . . 60.25 109.198 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.527 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 73.6 t -79.9 87.7 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.775 -1.194 . . . . 60.21 107.775 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -85.35 87.28 7.37 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 115.122 -0.945 . . . . 63.23 108.886 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.8 mt -67.18 114.33 18.0 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.756 -1.111 . . . . 60.24 110.468 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.61 113.22 2.87 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.914 1.743 . . . . 72.1 110.529 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.0 mt -91.69 90.81 7.71 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.218 -1.03 . . . . 71.54 108.218 176.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.515 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 7.1 t70 -69.66 123.34 21.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.536 -1.211 . . . . 62.12 108.028 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.1 mt . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 108.778 -0.823 . . . . 61.4 108.778 173.52 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--O 1.244 0.776 0 N-CA-C 109.23 -0.656 . . . . 74.1 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.05 61.92 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-O 121.036 0.242 . . . . 73.12 112.792 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 45.0 tt0 -65.82 -56.59 11.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.397 1.079 . . . . 64.12 110.223 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.33 -38.6 74.32 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.294 0.638 . . . . 65.11 112.454 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.778 HD21 HG21 ' A' ' 20' ' ' VAL . 37.2 tp -59.99 -54.24 48.38 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.922 0.764 . . . . 73.34 111.029 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.667 ' HB3' HD13 ' A' ' 54' ' ' LEU . 5.6 ptm180 -67.42 -39.57 85.47 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.41 0.444 . . . . 74.24 111.434 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -67.53 -30.57 70.26 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.146 0.578 . . . . 73.24 110.586 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.5 tp -64.28 -36.93 85.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.821 0.848 . . . . 73.51 110.327 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 22.6 mt -76.6 -35.9 57.83 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.713 0.805 . . . . 72.34 110.169 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.8 -33.0 64.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.264 1.026 . . . . 53.41 111.769 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -77.83 -45.09 25.36 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.111 0.481 . . . . 54.41 109.978 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -71.48 -56.91 5.01 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.266 -0.879 . . . . 74.22 111.35 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -112.86 -11.83 13.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.805 0.668 . . . . 73.41 112.805 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 6.73 85.24 Favored Glycine 0 N--CA 1.477 1.392 0 N-CA-C 114.249 0.46 . . . . 70.31 114.249 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.6 m-85 -137.82 146.28 43.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.64 -0.874 . . . . 75.53 108.64 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -86.6 94.63 9.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 107.123 -1.436 . . . . 42.11 107.123 173.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 81.5 m-85 -83.31 156.77 22.89 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.069 0.948 . . . . 55.21 111.401 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.23 145.84 41.63 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.76 -0.83 . . . . 72.53 108.76 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.778 HG21 HD21 ' A' ' 6' ' ' LEU . 4.6 m -121.29 126.36 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.071 -1.085 . . . . 74.2 108.071 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -128.62 134.04 48.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.045 0.538 . . . . 63.34 110.109 -173.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' HB3' HD11 ' A' ' 29' ' ' ILE . 67.3 m-85 -75.68 135.41 40.41 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.464 0.706 . . . . 64.53 110.239 174.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -138.07 109.42 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.037 0.935 . . . . 75.03 108.597 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -97.03 112.15 24.04 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.387 0.675 . . . . 73.2 109.548 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 t -136.02 139.28 42.99 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.223 0.609 . . . . 72.22 109.359 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 65.63 21.71 11.67 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.289 1.436 . . . . 60.23 112.073 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.17 -10.34 74.45 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.886 -0.597 . . . . 73.41 112.661 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -102.74 156.11 17.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.226 1.01 . . . . 73.0 110.577 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.3 tp -101.23 134.79 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 123.383 0.673 . . . . 74.41 110.066 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -128.36 138.07 52.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.096 1.358 . . . . 74.32 108.166 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD11 ' HB ' ' A' ' 20' ' ' VAL . 40.4 tp -99.78 101.6 12.79 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.25 -0.648 . . . . 62.2 109.25 174.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -90.85 111.7 23.21 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 110.242 -0.281 . . . . 74.34 110.242 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.31 109.31 2.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-N 115.547 -0.751 . . . . 74.54 109.193 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.01 156.47 35.94 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.986 0.914 . . . . 65.34 110.736 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -80.8 -2.67 48.09 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.448 1.099 . . . . 74.23 111.5 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -90.9 117.59 29.62 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.696 0.798 . . . . 72.22 109.737 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 164.7 12.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.252 1.021 . . . . 63.24 110.37 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.86 -12.07 59.89 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.75 0.82 . . . . 73.55 111.725 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.75 -36.12 71.66 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.612 0.765 . . . . 74.21 110.67 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.9 122.93 17.67 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.865 0.866 . . . . 72.14 110.246 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.75 -27.45 63.95 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.632 0.773 . . . . 73.22 110.982 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 m -90.86 12.67 18.69 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.785 0.834 . . . . 61.24 111.58 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -58.78 131.54 86.19 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.754 0.822 . . . . 70.32 109.816 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -60.19 -27.07 84.12 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.232 2.622 . . . . 73.32 113.552 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.6 mtm -108.43 152.06 25.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.858 0.863 . . . . 73.05 109.853 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 41.1 m-80 -77.05 179.91 5.96 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.749 0.42 . . . . 63.54 109.926 173.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.547 0.739 . . . . 74.13 111.69 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 8.5 m -76.86 -43.74 34.93 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.551 -0.295 . . . . 71.01 110.578 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 21.6 mm-40 -59.07 -38.36 79.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.816 0.847 . . . . 75.11 111.195 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -67.51 -40.65 85.13 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.453 -1.248 . . . . 64.24 110.991 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.442 HE22 ' HD2' ' A' ' 7' ' ' ARG . 58.1 tp60 -66.72 -36.48 82.57 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.574 0.226 . . . . 73.21 110.817 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 48' ' ' THR . 20.8 mm-40 -68.52 -33.51 74.26 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.969 -0.559 . . . . 73.01 110.344 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.12 -41.43 99.34 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.775 0.83 . . . . 75.32 110.33 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 7' ' ' ARG . 96.8 mt -65.64 -46.17 80.23 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.342 0.657 . . . . 73.32 111.225 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.91 -31.4 71.15 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.047 -0.524 . . . . 70.32 110.714 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -64.74 -44.16 91.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.558 0.743 . . . . 73.21 110.837 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -70.11 -48.43 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.643 -0.708 . . . . 72.35 110.76 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.01 74.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.696 0.798 . . . . 62.24 111.827 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.69 -43.32 99.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.132 0.973 . . . . 71.14 110.342 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -37.39 78.1 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.073 0.949 . . . . 72.23 110.588 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.17 -36.02 82.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.464 0.706 . . . . 74.23 110.149 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -65.63 -42.07 91.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 74.53 110.208 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.81 69.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.709 0.804 . . . . 62.04 112.052 -177.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 29' ' ' ILE . 96.0 mt -94.37 -22.51 18.27 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.816 0.847 . . . . 64.23 111.524 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 6.24 86.84 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.129 0.268 . . . . 71.42 112.696 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.79 -0.93 89.99 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 119.553 -0.582 . . . . 41.34 113.065 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.95 79.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.731 0.812 . . . . 42.1 111.217 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.62 -38.04 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 124.118 0.886 . . . . 61.51 110.094 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -64.96 -35.45 81.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.422 0.689 . . . . 64.15 111.715 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 89' ' ' ILE . 94.3 t -72.56 -45.38 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.081 0.553 . . . . 75.14 110.194 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.03 -33.91 75.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.955 0.902 . . . . 74.52 111.663 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.6 m -82.08 -48.55 11.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.512 0.725 . . . . 63.41 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.53 -50.11 75.19 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.486 0.714 . . . . 74.45 111.484 -175.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 77' ' ' THR . 23.8 mt -60.83 -39.12 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.861 0.726 . . . . 75.03 111.208 -176.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -70.26 -34.97 73.47 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 122.767 0.427 . . . . 73.23 111.453 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.079 0.552 . . . . 63.42 112.001 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 74' ' ' ILE . 6.6 t -82.38 155.51 24.67 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.037 0.446 . . . . 63.22 111.217 -168.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -102.7 -6.89 22.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.797 0.839 . . . . 73.5 110.0 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -61.06 134.31 56.94 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.496 0.718 . . . . 64.44 111.314 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -123.32 135.16 25.72 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.116 -0.947 . . . . 70.51 109.004 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.05 114.56 3.94 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 121.805 1.67 . . . . 44.01 110.205 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.96 169.42 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.861 1.264 . . . . 74.25 109.809 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.12 97.53 0.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.744 0.653 . . . . 64.22 109.78 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.59 -14.44 35.42 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.655 -0.702 . . . . 25.42 113.229 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -122.78 109.53 14.33 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 109.052 -0.721 . . . . 71.05 109.052 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.63 153.58 20.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.737 0.815 . . . . 64.23 110.68 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.2 t -84.34 94.02 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 108.05 -1.093 . . . . 71.02 108.05 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.5 t -78.61 102.63 8.07 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.699 -0.852 . . . . 70.13 108.699 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.497 HD13 HG13 ' A' ' 70' ' ' VAL . 60.7 mt -86.18 112.84 48.58 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 123.754 0.822 . . . . 74.21 109.04 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 113.97 3.83 Favored 'Trans proline' 0 C--N 1.369 1.611 0 C-N-CA 121.845 1.697 . . . . 73.2 110.638 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.1 mt -78.32 92.77 4.57 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.9 -1.148 . . . . 64.5 107.9 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.6 94.28 0.41 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.33 -1.305 . . . . 75.21 109.614 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 123.082 0.553 . . . . 62.33 110.601 -174.537 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 110.679 -0.119 . . . . 72.21 110.679 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.37 -22.4 69.34 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.274 0.359 . . . . 53.04 112.483 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -61.79 -54.99 34.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.875 0.87 . . . . 71.34 109.765 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.01 -35.75 81.39 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.421 0.689 . . . . 55.31 111.455 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 20' ' ' VAL . 64.6 tp -63.15 -45.39 92.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.044 0.937 . . . . 72.53 109.88 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.549 ' HB2' HD13 ' A' ' 54' ' ' LEU . 69.3 ttt180 -66.78 -42.9 85.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.539 0.736 . . . . 73.25 110.669 177.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -65.01 -26.8 68.43 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.532 0.733 . . . . 74.51 111.272 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 71' ' ' LYS . 50.4 tp -68.02 -37.55 81.53 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.745 0.818 . . . . 64.11 110.172 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.0 mt -74.92 -34.9 62.2 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.685 0.794 . . . . 72.31 109.935 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.428 HD21 ' OG ' ' A' ' 17' ' ' SER . 97.0 mt -73.72 -30.72 63.0 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.216 1.007 . . . . 62.43 110.868 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.26 -47.72 22.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.378 0.671 . . . . 74.24 109.881 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -75.86 -62.26 1.65 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.317 -0.856 . . . . 72.12 112.068 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -106.15 -13.31 15.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.694 0.398 . . . . 75.24 111.757 -172.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 11' ' ' LEU . . . 82.42 13.8 77.75 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 115.024 0.77 . . . . 62.04 115.024 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 91.4 m-85 -138.0 150.65 47.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.149 0.58 . . . . 71.14 110.536 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.428 ' OG ' HD21 ' A' ' 11' ' ' LEU . 18.0 m -85.82 71.59 10.64 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.516 -0.765 . . . . 71.31 109.74 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 94.3 m-85 -70.25 146.43 50.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.048 0.539 . . . . 63.31 111.264 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -75.91 137.16 40.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.753 -0.832 . . . . 53.45 108.753 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 33' ' ' VAL . 6.1 m -113.92 124.18 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 108.952 -0.759 . . . . 72.52 108.952 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.39 129.4 55.83 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.555 0.742 . . . . 63.53 110.76 -170.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' HB3' HD11 ' A' ' 29' ' ' ILE . 29.6 m-85 -74.62 129.03 36.99 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 122.549 0.34 . . . . 71.41 110.246 167.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -134.52 118.22 17.07 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.291 -1.003 . . . . 53.23 108.291 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -99.05 113.22 25.31 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.279 0.631 . . . . 73.52 110.727 -173.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -139.12 139.9 37.78 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.278 -0.638 . . . . 60.04 109.278 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 70.35 17.65 6.93 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.441 1.496 . . . . 70.14 112.106 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.19 -3.13 85.61 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.534 -0.303 . . . . 43.51 112.495 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -101.46 165.78 11.07 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 124.365 1.066 . . . . 71.0 109.717 -174.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 22' ' ' PHE . 8.8 tp -120.05 130.43 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.31 0.576 . . . . 51.35 110.321 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.02 125.23 36.88 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.681 1.193 . . . . 72.53 109.254 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.34 97.35 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 109.57 -0.53 . . . . 61.05 109.57 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -85.43 107.02 17.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.914 0.886 . . . . 72.22 110.194 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 20' ' ' VAL . 26.5 t -72.67 106.49 2.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 174.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.6 mmt -63.28 147.31 51.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.205 1.002 . . . . 64.21 111.618 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 30.9 p90 -73.19 -12.78 61.0 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.351 1.061 . . . . 73.31 111.937 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -86.21 123.24 31.26 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.333 -0.617 . . . . 60.35 109.333 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -118.15 161.31 20.08 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.568 1.147 . . . . 74.31 109.949 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 47' ' ' GLU . 33.2 tp -68.42 -21.38 64.67 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.368 0.667 . . . . 71.05 112.097 -169.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -68.32 -10.33 54.05 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 123.527 0.731 . . . . 73.2 110.928 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -90.9 137.08 32.63 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.725 0.81 . . . . 63.21 111.554 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.4 -20.31 59.0 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.804 0.842 . . . . 72.25 110.944 172.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -75.67 -5.29 44.81 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.22 1.008 . . . . 65.11 111.845 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.71 120.15 66.29 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.762 0.825 . . . . 75.13 109.281 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.53 -3.91 14.33 Favored 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.053 2.502 . . . . 74.51 113.495 -171.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.3 mtp -114.47 155.02 27.15 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.462 1.105 . . . . 42.11 109.151 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.568 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 83.8 m-20 -80.32 172.71 13.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.792 -0.64 . . . . 60.3 109.545 172.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' HA ' HD11 ' A' ' 38' ' ' LEU . 40.1 mt-10 -67.74 -34.34 76.63 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.497 0.719 . . . . 55.01 111.512 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 32.9 m -70.0 -45.2 67.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.409 0.683 . . . . 72.3 110.051 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 9.5 mm-40 -58.06 -42.57 85.77 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.551 0.74 . . . . 64.1 110.374 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -66.23 -43.17 87.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.67 -1.15 . . . . 70.11 111.415 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' LEU . 56.2 tp60 -67.02 -35.22 79.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.285 0.634 . . . . 73.11 111.159 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.0 mm-40 -74.23 -36.32 63.9 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.194 -0.457 . . . . 42.13 110.153 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -59.95 -40.9 90.58 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.963 0.905 . . . . 74.45 110.592 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 7' ' ' ARG . 70.3 mt -58.41 -51.45 69.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.016 0.927 . . . . 74.14 111.418 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.04 -22.97 55.13 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.363 -0.835 . . . . 71.45 110.78 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -69.64 -47.03 64.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.687 0.795 . . . . 73.12 109.559 171.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 40.5 t -62.44 -49.22 84.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 115.608 -0.723 . . . . 63.24 110.398 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.49 67.38 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.885 0.874 . . . . 52.34 112.147 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.62 -48.71 71.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.011 0.925 . . . . 71.42 110.078 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -70.48 -32.83 70.5 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.899 -0.591 . . . . 74.44 111.78 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 76.6 mt -59.6 -41.61 90.7 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.984 0.421 . . . . 74.02 109.946 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -70.02 -46.56 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.198 0.599 . . . . 73.4 110.814 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.64 77.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.991 0.916 . . . . 63.13 112.43 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.03 -22.09 19.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.831 0.853 . . . . 71.22 110.905 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.49 4.36 62.37 Favored Glycine 0 N--CA 1.478 1.498 0 O-C-N 123.36 0.413 . . . . 42.33 112.936 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 5.77 81.81 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 118.96 -0.911 . . . . 75.43 114.231 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.79 -46.47 81.93 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 118.199 0.999 . . . . 61.31 111.221 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.26 -36.38 76.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 114.956 -1.02 . . . . 55.03 109.638 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -61.6 -39.54 91.57 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.379 0.672 . . . . 54.05 111.52 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 89' ' ' ILE . 59.0 t -65.06 -52.5 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.629 0.771 . . . . 72.44 110.486 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 9' ' ' LEU . 46.7 mtpt -60.54 -39.66 88.68 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.69 -1.141 . . . . 74.12 111.359 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -66.4 -50.93 61.79 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.216 0.606 . . . . 72.2 110.018 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -58.08 -51.4 69.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.892 0.745 . . . . 72.4 111.149 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.7 -41.02 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.904 0.882 . . . . 61.1 111.016 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -72.9 -23.78 60.76 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.341 0.656 . . . . 74.14 111.844 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -80.46 -52.06 8.09 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.857 0.463 . . . . 71.2 110.499 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 t -72.67 177.92 4.45 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.692 0.797 . . . . 60.31 111.407 -174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -132.04 -2.47 3.61 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.694 0.798 . . . . 71.24 109.592 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -66.65 126.85 30.26 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.954 0.784 . . . . 71.24 110.819 -169.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -94.67 141.21 23.09 Favored Pre-proline 0 C--O 1.243 0.733 0 O-C-N 124.738 1.274 . . . . 72.12 109.575 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 22.1 Cg_exo -63.85 119.82 7.0 Favored 'Trans proline' 0 C--N 1.364 1.365 0 C-N-CA 122.195 1.93 . . . . 75.4 110.119 171.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 41.1 ttm180 -126.14 156.64 39.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.216 1.407 . . . . 73.25 108.353 -171.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.99 106.52 0.51 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.567 0.347 . . . . 62.5 110.546 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -24.1 28.18 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.685 -0.689 . . . . 63.05 112.51 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 8.5 tmtm? -110.4 104.25 12.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.377 1.071 . . . . 53.14 109.517 -177.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.9 144.04 26.79 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.225 -0.658 . . . . 74.1 109.225 170.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.529 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.9 t -84.21 88.44 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 107.907 -1.145 . . . . 63.43 107.907 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -80.2 100.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.25 -0.887 . . . . 51.42 109.561 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -81.65 111.78 28.75 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.53 1.132 . . . . 74.11 109.398 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.83 114.12 3.95 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 121.75 1.633 . . . . 72.35 111.012 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.5 mt -81.77 92.73 6.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.888 -1.153 . . . . 64.01 107.888 174.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.35 98.84 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.401 -0.818 . . . . 64.3 109.066 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.9 mt . . . . . 0 C--O 1.239 0.512 0 CA-C-N 115.46 -0.791 . . . . 70.31 109.359 -178.441 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 p . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 107.894 -1.15 . . . . 75.25 107.894 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.57 68.53 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.927 -0.469 . . . . 72.44 111.927 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -71.01 -47.1 60.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.443 1.097 . . . . 73.11 110.288 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 24.9 mm-40 -62.66 -36.17 81.98 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.793 0.437 . . . . 73.31 111.221 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 20' ' ' VAL . 40.6 tp -61.37 -50.55 72.42 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.162 -0.926 . . . . 54.05 110.405 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' ' 54' ' ' LEU . 8.0 ptm180 -70.11 -35.21 73.97 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.373 0.421 . . . . 70.43 111.61 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -67.28 -34.06 76.62 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.011 0.524 . . . . 64.23 110.876 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 71' ' ' LYS . 65.8 tp -60.25 -40.33 89.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.663 0.785 . . . . 72.24 110.418 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 19.2 mt -75.63 -32.41 60.25 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.847 0.859 . . . . 74.42 110.219 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.41 -27.24 46.63 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.159 0.984 . . . . 65.41 112.112 -177.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -87.12 -43.88 11.94 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.032 0.533 . . . . 70.53 109.907 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -80.21 -44.92 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.648 -0.251 . . . . 72.53 111.225 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -114.61 -10.58 12.48 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.67 0.618 . . . . 75.35 112.67 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.75 5.1 89.54 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 114.572 0.589 . . . . 64.32 114.572 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -141.19 147.54 38.52 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.158 0.983 . . . . 74.42 109.395 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -92.62 86.16 5.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.415 -0.958 . . . . 62.22 108.415 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -81.53 156.96 24.99 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.819 0.848 . . . . 73.52 112.307 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.51 164.6 24.58 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 108.568 -0.901 . . . . 70.54 108.568 171.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 6' ' ' LEU . 5.9 m -139.84 130.66 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 123.677 0.791 . . . . 62.24 110.174 -175.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -110.84 129.08 55.96 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.065 0.946 . . . . 75.25 110.719 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -79.7 102.71 9.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.953 -0.758 . . . . 74.4 108.953 167.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -111.55 112.69 24.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.254 -0.647 . . . . 73.34 109.254 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -106.4 128.72 54.25 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.379 0.672 . . . . 75.31 109.765 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 t -136.5 132.08 34.82 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 124.339 1.055 . . . . 75.41 108.831 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 64.84 18.04 11.28 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.807 1.243 . . . . 65.44 112.339 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.39 -4.58 77.03 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.26 -0.427 . . . . 61.12 113.138 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -101.32 141.16 34.61 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 55.51 109.302 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 91' ' ' LEU . 10.5 tp -103.26 136.71 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-O 121.483 0.659 . . . . 72.14 110.549 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -131.96 125.21 31.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.605 1.162 . . . . 75.11 108.218 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.8 tp -88.91 96.12 10.58 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.302 -0.999 . . . . 71.52 108.302 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.64 102.05 13.82 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.492 0.717 . . . . 71.44 110.027 -177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 20' ' ' VAL . 41.8 t -64.49 117.8 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.117 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.2 mmt -70.17 150.45 46.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.522 1.129 . . . . 70.01 111.039 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 32.5 p90 -77.16 -17.58 58.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.675 0.79 . . . . 74.15 111.737 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.29 119.08 22.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.994 0.517 . . . . 75.51 109.921 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -113.02 157.73 21.17 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.221 1.009 . . . . 74.34 110.163 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 47' ' ' GLU . 58.2 tp -59.68 -31.5 69.62 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.924 0.89 . . . . 65.05 112.33 -173.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.41 -17.54 64.76 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.662 0.785 . . . . 64.31 111.3 -173.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.01 132.13 50.96 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.067 0.547 . . . . 75.3 109.814 172.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.57 -20.03 60.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.401 0.68 . . . . 55.34 110.608 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -101.06 18.49 19.62 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.776 0.83 . . . . 74.51 110.91 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.82 121.19 83.83 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.547 -0.908 . . . . 64.42 108.547 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.88 -19.38 58.55 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.835 2.356 . . . . 61.3 114.107 -168.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.0 mtm -106.56 151.5 24.93 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.247 0.619 . . . . 73.5 110.424 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -74.06 167.34 21.72 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.689 0.796 . . . . 75.04 110.703 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HA ' HD11 ' A' ' 38' ' ' LEU . 42.7 mt-10 -61.6 -42.36 98.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.953 0.901 . . . . 61.15 111.384 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.495 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 51.8 m -65.27 -54.69 25.45 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 123.886 0.742 . . . . 74.32 110.38 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.167 0.987 . . . . 71.24 111.663 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.98 -44.55 97.2 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.111 -0.95 . . . . 65.3 110.725 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -68.58 -29.59 68.16 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.741 0.416 . . . . 62.33 110.882 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 mm-40 -74.66 -29.2 61.15 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.183 0.593 . . . . 74.13 110.442 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -64.23 -44.85 90.59 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.898 -0.779 . . . . 73.45 108.898 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 7' ' ' ARG . 83.5 mt -64.38 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.468 -0.787 . . . . 61.12 111.034 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.16 -45.37 88.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.996 0.919 . . . . 73.21 110.238 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -60.74 -49.85 75.85 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.466 0.706 . . . . 72.31 110.185 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.514 HG21 HG23 ' A' ' 20' ' ' VAL . 63.5 t -58.96 -42.9 87.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 123.95 0.9 . . . . 74.22 110.618 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.55 77.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.016 0.926 . . . . 74.03 111.734 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -74.52 -28.67 61.07 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.094 0.871 . . . . 61.32 110.458 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.78 -36.05 62.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.948 0.499 . . . . 71.42 110.532 171.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 76.1 mt -67.97 -28.58 67.57 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.454 0.645 . . . . 73.51 109.745 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -71.45 -51.11 25.57 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.11 1.364 . . . . 74.02 110.682 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.97 84.82 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.67 0.788 . . . . 63.14 111.899 -171.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.52 -25.2 26.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.876 -1.056 . . . . 72.31 111.139 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.77 31.98 28.21 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 111.645 -0.582 . . . . 62.01 111.645 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -99.91 10.46 60.44 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 119.523 -0.598 . . . . 71.25 113.549 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.04 -60.58 3.06 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.543 0.737 . . . . 62.34 112.262 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.71 -30.64 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.112 0.965 . . . . 75.0 110.211 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.68 -44.69 90.32 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.712 0.805 . . . . 64.41 111.23 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.522 ' HA ' HG21 ' A' ' 89' ' ' ILE . 72.6 t -63.45 -50.06 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.965 0.906 . . . . 74.35 110.506 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 9' ' ' LEU . 47.2 mtpt -61.13 -46.28 91.2 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.191 0.932 . . . . 63.34 111.694 -174.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.9 m -66.44 -42.46 87.64 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.266 0.979 . . . . 61.2 110.177 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD2' HG12 ' A' ' 89' ' ' ILE . 87.4 t80 -64.67 -50.12 68.27 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.343 0.402 . . . . 61.33 110.92 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.46 ' HA ' HG22 ' A' ' 77' ' ' THR . 40.7 mt -62.84 -38.23 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.648 0.779 . . . . 72.51 111.186 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.9 m -66.12 -33.25 75.35 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.297 0.639 . . . . 63.13 111.313 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -83.49 -38.11 22.21 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.041 0.536 . . . . 74.22 112.318 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 74' ' ' ILE . 11.4 t -75.82 134.56 40.34 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.152 0.501 . . . . 71.44 110.066 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -104.02 12.28 34.33 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.508 0.723 . . . . 62.21 110.52 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -83.81 167.59 16.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.228 1.011 . . . . 72.3 109.989 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -131.43 153.89 81.74 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 123.543 0.737 . . . . 71.22 109.983 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.446 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 8.1 Cg_exo -71.27 120.04 6.7 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.506 2.137 . . . . 71.44 109.928 168.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -131.73 163.12 28.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.125 0.97 . . . . 73.22 109.281 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.36 101.85 0.08 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.987 0.915 . . . . 53.41 112.007 -174.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.58 -28.31 15.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 115.671 -0.695 . . . . 62.41 111.972 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -103.03 103.83 13.95 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.897 0.879 . . . . 63.42 110.57 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.61 18.82 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.005 0.522 . . . . 63.24 109.843 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.1 95.46 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 108.719 -0.845 . . . . 73.5 108.719 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.8 t -77.34 109.77 11.52 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.134 -0.691 . . . . 73.5 109.134 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 70' ' ' VAL . 66.3 mt -92.57 111.95 53.27 Favored Pre-proline 0 N--CA 1.468 0.467 0 C-N-CA 123.694 0.798 . . . . 54.31 109.708 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.89 115.36 3.39 Favored 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.082 1.855 . . . . 75.1 110.132 172.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HB2' HG23 ' A' ' 29' ' ' ILE . 74.3 mt -98.69 109.24 22.03 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.638 -1.245 . . . . 72.15 107.638 172.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.1 94.05 1.48 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-O 121.334 0.588 . . . . 65.21 109.822 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 114.957 -1.02 . . . . 52.02 108.418 166.288 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 108.26 -1.015 . . . . 72.41 108.26 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.77 -23.99 63.89 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 111.85 -0.5 . . . . 54.45 111.85 172.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -68.64 -59.25 3.26 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.56 1.144 . . . . 71.2 110.303 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.51 -43.96 89.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.567 0.747 . . . . 73.24 111.56 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 20' ' ' VAL . 52.1 tp -55.18 -50.51 69.16 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.901 1.28 . . . . 63.45 111.214 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.509 ' HB2' HD13 ' A' ' 54' ' ' LEU . 50.5 ttt180 -65.36 -40.93 94.18 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.88 0.738 . . . . 73.55 111.059 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -69.04 -20.78 64.12 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.591 -0.731 . . . . 72.23 110.884 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 tp -78.07 -34.76 50.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.286 0.634 . . . . 52.14 109.66 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.2 mt -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.642 0.777 . . . . 73.43 109.821 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.61 -33.52 35.82 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.528 1.131 . . . . 52.23 111.943 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.41 -44.32 71.62 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.216 0.606 . . . . 72.23 110.102 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -77.77 -65.04 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.499 -0.773 . . . . 72.44 110.792 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.5 m-90 -98.63 -35.35 10.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.987 0.515 . . . . 75.44 112.03 -169.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.81 9.14 54.95 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 113.753 0.261 . . . . 40.43 113.753 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -131.81 142.47 49.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.328 0.651 . . . . 70.3 109.32 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -84.34 91.43 7.78 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 109.236 -0.653 . . . . 61.2 109.236 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -87.45 150.03 24.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.211 0.604 . . . . 64.2 111.45 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.07 135.84 49.68 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.104 -0.702 . . . . 54.35 109.104 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 6' ' ' LEU . 21.9 m -123.28 125.88 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 108.539 -0.911 . . . . 65.55 108.539 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -129.5 141.49 50.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.536 0.734 . . . . 71.41 110.374 -177.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.687 ' HB3' HD11 ' A' ' 29' ' ' ILE . 62.7 m-85 -75.24 152.82 38.27 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.395 -0.82 . . . . 71.4 111.465 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -148.33 118.79 7.39 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.5 -0.773 . . . . 52.31 109.13 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -98.63 104.3 16.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.041 0.536 . . . . 75.4 110.407 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -137.21 140.02 41.44 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.772 0.829 . . . . 54.41 109.398 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 64.93 24.81 12.72 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.52 1.128 . . . . 73.21 110.836 -173.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.25 7.75 57.74 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 116.168 -0.469 . . . . 75.24 113.59 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -99.95 174.95 5.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.194 0.998 . . . . 51.15 108.796 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.7 tp -121.04 134.4 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 108.565 -0.902 . . . . 70.5 108.565 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -126.75 147.36 49.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.47 1.108 . . . . 61.5 108.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.7 tp -109.7 98.25 7.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.742 -0.836 . . . . 74.12 108.742 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -86.42 107.39 18.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 122.864 0.466 . . . . 75.33 110.024 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 22.5 t -72.63 103.29 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.156 -0.929 . . . . 63.13 108.511 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -63.26 161.21 14.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.355 1.062 . . . . 51.35 112.02 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -77.7 7.31 5.89 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.782 1.233 . . . . 75.01 112.181 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.46 101.88 13.26 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 124.166 0.986 . . . . 52.33 109.815 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -90.6 154.01 19.91 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.017 -0.734 . . . . 73.4 109.017 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 47' ' ' GLU . 49.4 tp -63.09 -17.92 62.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.507 0.723 . . . . 74.34 112.647 -174.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.66 -17.65 64.67 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.826 0.451 . . . . 72.11 111.922 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.3 136.21 49.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.04 0.536 . . . . 74.3 111.136 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.49 -16.47 54.23 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.761 0.824 . . . . 75.53 111.13 173.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 m -89.48 3.0 53.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.005 0.922 . . . . 71.13 111.626 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 27.9 t80 -62.35 128.24 90.97 Favored Pre-proline 0 CA--C 1.562 1.411 0 C-N-CA 123.705 0.802 . . . . 73.32 110.832 -174.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 34.7 Cg_exo -62.26 -32.13 82.18 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.107 2.538 . . . . 64.44 114.009 -171.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 44' ' ' PRO . 3.5 mpp? -99.97 161.31 13.69 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.446 0.698 . . . . 65.32 109.868 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -80.28 -174.16 4.41 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.157 0.583 . . . . 73.33 109.851 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' A' ' 38' ' ' LEU . 42.3 mt-10 -62.89 -57.86 9.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.77 0.428 . . . . 61.45 110.766 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 67.7 m -65.19 -47.03 78.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.767 0.427 . . . . 71.51 110.199 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -53.7 -35.68 61.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.442 0.697 . . . . 72.42 112.586 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -59.9 -47.29 86.38 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.887 0.475 . . . . 72.45 110.804 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -69.56 -30.93 68.83 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.942 0.497 . . . . 61.14 111.102 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.3 mm-40 -70.29 -33.6 71.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.938 0.495 . . . . 55.14 110.151 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.28 -43.05 87.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.028 0.931 . . . . 63.14 109.628 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 7' ' ' ARG . 96.8 mt -63.73 -40.08 95.86 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.496 0.719 . . . . 74.11 111.082 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.86 -41.39 97.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.449 1.1 . . . . 72.22 110.541 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.8 t -69.1 -39.97 78.66 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.217 -0.901 . . . . 52.1 111.292 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 40.2 t -67.2 -45.83 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.681 0.792 . . . . 62.5 110.92 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.21 68.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.924 0.89 . . . . 74.33 111.966 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.47 -42.21 98.58 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 41.12 110.28 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -71.33 -36.98 71.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.83 0.452 . . . . 73.0 111.01 174.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.42 -36.69 81.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.761 0.315 . . . . 72.11 110.452 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -71.25 -53.38 14.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.74 0.816 . . . . 74.12 110.723 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.925 0.89 . . . . 73.44 112.437 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.2 mt -81.74 -26.98 34.09 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.173 0.989 . . . . 73.32 111.721 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.59 12.96 71.25 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.959 -0.456 . . . . 61.34 111.959 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.01 -3.9 88.44 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 119.86 -0.411 . . . . 51.31 113.169 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.86 78.13 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 74.33 111.635 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.01 -35.03 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 114.713 -1.131 . . . . 55.11 110.587 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.8 -39.86 95.57 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.237 0.615 . . . . 72.31 110.813 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.457 ' HA ' HG21 ' A' ' 89' ' ' ILE . 86.1 t -67.47 -47.48 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.915 0.886 . . . . 72.55 110.718 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -58.95 -49.5 77.62 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.363 1.039 . . . . 70.44 110.995 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.1 m -66.62 -44.52 81.83 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.096 0.872 . . . . 73.35 111.105 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.3 t80 -66.31 -54.36 25.66 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.58 0.55 . . . . 74.34 111.11 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -58.05 -38.96 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 124.053 0.846 . . . . 73.33 111.384 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -65.74 -47.95 73.56 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.406 0.683 . . . . 75.22 111.695 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.05 -38.03 64.11 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.313 0.645 . . . . 72.32 112.552 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -70.02 162.86 27.34 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 72.44 110.469 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -129.59 16.07 5.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.872 0.869 . . . . 73.32 109.808 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -89.09 137.63 32.14 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.539 0.736 . . . . 72.13 110.646 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 64.0 mtt85 -110.17 142.65 26.39 Favored Pre-proline 0 C--O 1.239 0.505 0 CA-C-N 114.421 -1.263 . . . . 65.11 109.528 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.42 118.05 4.9 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 122.493 2.129 . . . . 40.24 110.821 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -128.69 155.99 44.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.414 1.086 . . . . 74.13 109.34 -170.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.87 92.06 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.693 0.797 . . . . 74.52 112.055 -174.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -18.81 19.55 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.856 -0.611 . . . . 61.11 112.915 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.41 103.27 8.82 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.647 0.779 . . . . 72.54 110.246 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.41 164.21 21.15 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.865 0.866 . . . . 60.22 110.768 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.9 t -92.69 89.76 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 N-CA-C 108.269 -1.011 . . . . 62.13 108.269 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -78.56 100.06 6.78 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 115.895 -0.593 . . . . 23.24 109.656 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -81.69 115.9 59.79 Favored Pre-proline 0 N--CA 1.47 0.573 0 C-N-CA 123.871 0.868 . . . . 71.41 109.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.79 113.67 3.84 Favored 'Trans proline' 0 C--N 1.369 1.64 0 C-N-CA 121.73 1.62 . . . . 71.23 110.548 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.554 ' HB2' HG23 ' A' ' 29' ' ' ILE . 49.3 mt -86.81 92.47 8.98 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.711 -1.218 . . . . 72.43 107.711 174.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.75 96.11 0.71 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.841 -1.072 . . . . 50.13 109.34 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 N--CA 1.473 0.715 0 CA-C-N 115.613 -0.721 . . . . 74.14 111.175 -178.706 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 p . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 110.753 -0.092 . . . . 62.15 110.753 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.18 -20.51 71.19 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 112.201 -0.36 . . . . 62.21 112.201 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.71 -54.22 14.82 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.123 0.969 . . . . 75.14 110.037 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.64 -40.4 91.84 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.513 0.725 . . . . 74.44 111.075 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.655 HD21 HG21 ' A' ' 20' ' ' VAL . 37.7 tp -62.83 -41.77 99.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.91 0.884 . . . . 64.54 110.494 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.464 ' HB2' HD13 ' A' ' 54' ' ' LEU . 55.5 ttt180 -65.79 -44.73 84.85 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.136 0.574 . . . . 71.44 110.298 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -68.15 -22.15 64.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.221 1.008 . . . . 75.45 111.696 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 tp -74.75 -43.35 55.39 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.726 0.81 . . . . 72.42 109.787 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 33.0 mt -71.82 -33.97 68.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.158 -0.928 . . . . 72.11 110.394 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.69 -45.86 41.66 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.677 0.791 . . . . 64.12 111.663 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -58.54 -41.84 86.47 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.044 0.449 . . . . 71.52 110.429 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -77.21 -65.95 0.89 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.213 -0.903 . . . . 64.41 111.532 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -105.3 -10.99 16.69 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.129 0.788 . . . . 64.23 113.129 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.01 4.43 89.99 Favored Glycine 0 N--CA 1.474 1.21 0 N-CA-C 113.603 0.201 . . . . 63.24 113.603 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -139.92 138.39 35.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.105 0.962 . . . . 61.23 109.11 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -87.79 104.69 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.428 0.691 . . . . 63.0 109.61 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.8 159.95 14.97 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.836 0.854 . . . . 70.35 111.876 -176.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.71 120.26 15.19 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.741 -0.663 . . . . 74.11 109.455 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.655 HG21 HD21 ' A' ' 6' ' ' LEU . 12.8 m -103.99 126.02 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.092 -1.077 . . . . 72.13 108.092 174.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -137.53 138.23 39.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.966 0.412 . . . . 73.31 110.721 -173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -72.74 136.6 45.54 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.348 -0.842 . . . . 75.13 110.224 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -143.82 116.35 8.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.473 -1.306 . . . . 75.35 107.473 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -107.21 146.69 31.09 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.137 0.575 . . . . 74.45 110.757 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -144.79 122.16 11.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.804 0.842 . . . . 73.21 109.196 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 63.39 23.49 13.75 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.904 1.281 . . . . 60.13 112.857 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 -7.42 54.52 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 120.204 -0.22 . . . . 73.42 113.463 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -100.28 146.83 26.45 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.737 0.815 . . . . 72.13 110.151 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.467 HG21 HD12 ' A' ' 93' ' ' LEU . 6.2 tp -112.55 133.97 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.472 0.709 . . . . 72.53 111.111 -177.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -131.46 120.78 23.48 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.268 1.427 . . . . 62.14 108.295 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 tp -89.72 101.88 14.57 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.01 -0.737 . . . . 72.13 109.01 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.34 114.8 24.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.166 0.587 . . . . 62.21 110.629 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 20' ' ' VAL . 22.0 t -80.98 100.93 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.309 -0.997 . . . . 51.22 108.309 172.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.417 ' SD ' ' HB2' ' A' ' 86' ' ' ALA . 18.8 mmt -70.49 161.28 30.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.013 0.925 . . . . 70.23 112.658 -176.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -77.25 -3.33 39.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.832 1.253 . . . . 73.53 112.458 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.77 121.9 33.04 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.7 0.8 . . . . 75.25 109.222 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -120.92 160.01 24.36 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.357 1.063 . . . . 70.43 110.065 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 47' ' ' GLU . 41.5 tp -65.86 -23.73 66.72 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.679 0.792 . . . . 75.23 112.87 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.93 -9.16 50.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.184 0.447 . . . . 72.42 111.518 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -86.83 136.53 32.94 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.773 0.429 . . . . 71.03 110.476 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.96 -22.84 58.32 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.399 -0.819 . . . . 74.22 110.023 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 p -80.83 8.74 7.53 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.124 0.969 . . . . 73.41 112.151 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -71.56 129.1 89.06 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.617 0.767 . . . . 61.31 109.713 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.13 -2.41 12.27 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 123.032 2.488 . . . . 64.32 113.915 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.1 mtm -119.44 147.58 44.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.262 -0.644 . . . . 72.12 109.262 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 5.7 m-20 -72.1 173.22 8.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.174 0.59 . . . . 71.24 109.902 173.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HA ' HD11 ' A' ' 38' ' ' LEU . 31.3 mt-10 -62.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.824 0.85 . . . . 55.2 111.281 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 59.8 m -72.71 -47.77 44.36 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.532 -0.758 . . . . 74.0 110.536 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.569 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.7 mm-40 -61.01 -30.15 70.13 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.179 0.592 . . . . 72.32 111.395 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' HD2' HD22 ' A' ' 38' ' ' LEU . 43.0 t80 -70.13 -44.72 68.31 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.453 0.701 . . . . 74.53 111.16 176.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.7 -35.24 79.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.831 0.348 . . . . 72.43 110.485 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.3 mm-40 -66.37 -36.88 83.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.878 -0.601 . . . . 72.44 110.522 174.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.5 -39.52 85.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.499 0.72 . . . . 75.13 110.976 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 7' ' ' ARG . 78.5 mt -61.44 -46.86 88.33 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.947 0.499 . . . . 65.22 110.785 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.25 -28.31 61.17 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.442 -0.799 . . . . 72.21 110.869 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -67.88 -49.58 61.22 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.171 0.588 . . . . 62.41 110.289 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 48.7 t -62.35 -45.81 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.042 -0.981 . . . . 64.22 110.025 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -21.79 63.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.299 0.64 . . . . 50.44 112.005 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -72.97 -36.37 67.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.307 0.643 . . . . 73.25 109.939 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.66 -36.02 67.85 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.205 0.202 . . . . 71.04 110.864 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.7 mt -66.6 -32.03 73.11 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.206 0.526 . . . . 63.24 109.984 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -68.41 -45.35 72.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.529 1.132 . . . . 75.01 110.729 171.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.93 57.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.821 0.848 . . . . 74.03 112.575 -172.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' HD13 ' A' ' 93' ' ' LEU . 91.6 mt -103.6 -19.21 14.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.314 0.646 . . . . 73.15 111.21 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.77 8.68 61.85 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 123.332 0.395 . . . . 64.2 113.3 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.415 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -78.81 -6.13 88.54 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-O 119.516 -0.602 . . . . 54.41 113.706 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.77 43.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.28 1.032 . . . . 75.03 112.834 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.76 -31.61 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.291 -0.868 . . . . 74.3 110.118 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -67.68 -37.53 82.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.493 0.717 . . . . 64.13 111.245 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 66' ' ' GLY . 77.3 t -68.73 -42.92 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.977 0.911 . . . . 63.12 110.185 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -64.35 -42.38 96.26 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.496 -0.775 . . . . 75.23 111.094 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -62.88 -46.34 88.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.89 0.876 . . . . 64.11 110.307 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.442 ' CD2' HG12 ' A' ' 89' ' ' ILE . 60.0 t80 -68.67 -57.53 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.572 -0.74 . . . . 71.25 111.098 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.1 mt -59.24 -38.28 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.676 0.79 . . . . 73.23 111.987 -174.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 m -69.04 -46.18 68.54 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.835 0.454 . . . . 65.44 111.355 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -82.16 -33.66 29.43 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.616 0.598 . . . . 61.04 112.616 -173.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.5 t -72.28 157.21 38.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.94 0.496 . . . . 72.24 109.676 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -117.37 10.59 13.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.283 0.633 . . . . 72.13 110.83 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.75 142.56 54.92 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.591 0.757 . . . . 74.2 110.288 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -111.08 148.3 38.38 Favored Pre-proline 0 N--CA 1.471 0.62 0 N-CA-C 109.358 -0.608 . . . . 73.34 109.358 169.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.33 120.35 8.06 Favored 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.613 2.209 . . . . 63.23 110.551 168.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -122.16 154.83 36.9 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.383 1.073 . . . . 74.22 108.864 -171.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.71 107.08 0.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.949 0.5 . . . . 43.34 110.534 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.66 -19.48 54.22 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 119.831 -0.427 . . . . 75.43 113.045 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -122.5 110.44 15.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.265 0.626 . . . . 52.23 110.527 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HB2' ' SD ' ' A' ' 34' ' ' MET . . . -83.01 163.53 20.92 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.257 0.623 . . . . 74.13 110.554 171.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 47.4 t -85.57 90.36 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 108.138 -1.06 . . . . 61.03 108.138 173.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -78.23 105.36 9.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.711 0.804 . . . . 74.01 110.025 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 73' ' ' PHE . 60.8 mt -86.77 108.53 18.71 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 124.186 0.994 . . . . 52.04 109.354 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.49 111.52 3.24 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.684 1.589 . . . . 72.1 109.461 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.453 ' HB2' HG23 ' A' ' 29' ' ' ILE . 92.0 mt -82.95 108.88 16.59 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.652 -0.499 . . . . 55.42 109.652 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.45 86.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.175 0.99 . . . . 61.35 108.802 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 64' ' ' LEU . 68.5 mt . . . . . 0 N--CA 1.48 1.049 0 C-N-CA 123.455 0.702 . . . . 74.12 110.982 -174.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 109.776 -0.453 . . . . 74.14 109.776 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.3 73.02 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.165 0.291 . . . . 40.43 112.464 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.61 -54.46 35.46 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.178 0.991 . . . . 61.11 109.364 171.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.44 -27.64 66.36 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.138 0.975 . . . . 63.24 111.947 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 20' ' ' VAL . 56.2 tp -71.82 -44.09 64.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.396 -0.594 . . . . 70.3 109.396 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.582 ' HB2' HD13 ' A' ' 54' ' ' LEU . 55.9 ttt180 -62.52 -42.71 99.7 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.787 0.679 . . . . 74.12 110.376 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -59.46 -40.74 87.83 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.117 -0.947 . . . . 74.22 110.604 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -29.7 70.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.982 0.513 . . . . 72.34 111.39 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 26.5 mt -79.82 -34.81 39.17 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.654 0.781 . . . . 64.4 110.638 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.27 -52.78 8.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.005 0.922 . . . . 74.03 111.229 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.59 -36.57 64.55 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.457 1.103 . . . . 65.4 112.031 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -81.63 -65.65 0.99 Allowed 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.264 0.352 . . . . 75.21 111.265 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -101.87 -33.9 9.6 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.468 0.707 . . . . 73.03 112.33 -168.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.04 41.38 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.16 -0.244 . . . . 45.12 113.527 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -135.54 141.31 45.2 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.295 0.638 . . . . 74.44 109.739 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 p -82.98 78.99 9.47 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.792 0.837 . . . . 73.15 109.687 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -72.22 156.53 39.04 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.599 0.714 . . . . 73.23 112.793 -175.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.23 142.68 36.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 107.854 -1.165 . . . . 64.34 107.854 167.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 6' ' ' LEU . 5.3 m -119.97 125.6 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.647 -0.872 . . . . 73.24 108.647 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -123.42 125.89 45.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.929 0.892 . . . . 75.11 109.819 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.3 m-85 -69.61 149.92 47.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.489 0.715 . . . . 64.41 110.223 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -142.13 114.7 8.46 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.468 0.707 . . . . 71.33 109.196 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -107.64 110.07 21.85 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.778 0.831 . . . . 75.2 109.571 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -144.63 139.93 28.37 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.248 1.019 . . . . 72.43 109.014 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 64.38 20.1 12.04 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.598 1.159 . . . . 64.11 111.011 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.35 83.24 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 116.267 -0.424 . . . . 53.12 113.377 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -102.9 160.96 14.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.513 1.125 . . . . 70.01 109.778 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.4 tp -118.04 133.92 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.54 0.686 . . . . 72.53 110.428 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -131.34 123.27 27.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.132 1.373 . . . . 74.0 107.793 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -90.28 97.65 11.31 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.024 -0.732 . . . . 23.12 109.024 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -87.81 102.18 14.42 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.743 0.817 . . . . 54.42 110.274 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 51.7 t -66.96 113.83 3.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.509 -0.769 . . . . 64.03 109.224 175.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmt -70.17 156.39 39.29 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.355 1.062 . . . . 74.53 111.379 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.2 p90 -77.13 -8.11 56.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.473 1.109 . . . . 75.21 111.786 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -81.21 136.24 35.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.261 1.024 . . . . 73.21 108.803 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -135.25 157.93 45.65 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.287 0.635 . . . . 75.41 110.057 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 50' ' ' TYR . 40.5 tp -65.31 -19.99 66.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.846 0.859 . . . . 71.05 112.149 -171.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -68.9 -23.69 64.22 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 122.329 0.252 . . . . 74.33 111.071 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -73.78 131.04 41.15 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.259 0.624 . . . . 74.11 110.503 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.66 63.64 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.943 0.897 . . . . 75.44 110.829 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 m -79.58 6.87 9.44 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.239 1.016 . . . . 51.14 112.51 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -70.48 124.1 90.24 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.325 0.65 . . . . 51.12 109.585 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -82.09 4.92 6.68 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 123.145 2.563 . . . . 73.43 114.187 -170.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.414 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 72.7 mtm -121.87 154.75 36.67 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.876 -0.787 . . . . 71.13 108.876 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.668 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 1.6 m-20 -68.6 167.46 15.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.172 -0.677 . . . . 74.13 109.172 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.37 -38.14 89.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.127 -0.488 . . . . 50.2 110.099 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 17.3 m -62.17 -51.88 66.04 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 123.599 0.562 . . . . 75.44 109.764 173.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.668 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.2 mm-40 -59.82 -32.74 70.94 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.722 0.809 . . . . 73.3 111.699 -176.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 38' ' ' LEU . 39.9 t80 -65.02 -47.69 76.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.785 0.834 . . . . 73.24 110.635 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -70.39 -34.35 72.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.569 0.347 . . . . 74.15 110.492 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' THR . 16.6 mm-40 -62.32 -43.56 98.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.669 0.788 . . . . 71.23 109.784 173.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.05 -44.42 96.72 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.579 1.174 . . . . 71.02 110.512 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.582 HD13 ' HB2' ' A' ' 7' ' ' ARG . 88.6 mt -60.43 -49.22 78.42 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.855 0.722 . . . . 62.33 111.125 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -71.09 -28.65 64.49 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.063 0.852 . . . . 75.03 110.404 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 t -70.84 -40.32 72.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.417 0.687 . . . . 71.24 110.026 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 37.9 t -67.66 -49.95 65.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 123.722 0.809 . . . . 62.23 110.281 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -69.45 -27.07 64.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.754 0.822 . . . . 65.33 111.639 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.08 -41.01 74.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.796 0.838 . . . . 51.53 109.861 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -40.36 89.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.346 1.059 . . . . 74.3 109.741 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 94.8 mt -65.32 -39.95 93.09 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.06 0.944 . . . . 71.15 110.073 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.81 -39.49 93.67 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.247 1.019 . . . . 75.44 110.703 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.89 90.4 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.434 0.694 . . . . 33.24 110.691 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.05 -27.9 60.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.906 0.882 . . . . 71.4 112.011 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.4 2.79 84.95 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 116.46 -0.336 . . . . 71.23 112.266 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.62 2.31 88.14 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 119.673 -0.515 . . . . 74.24 113.25 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.317 0.647 . . . . 65.23 110.836 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.39 -34.6 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.907 0.883 . . . . 65.21 110.142 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 17.2 mm-40 -68.39 -36.32 78.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.106 0.563 . . . . 74.34 111.771 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' HG21 ' A' ' 89' ' ' ILE . 80.9 t -65.14 -44.94 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 123.831 0.707 . . . . 75.24 110.172 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -65.09 -51.6 60.44 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.228 -0.896 . . . . 71.53 111.264 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -61.82 -40.26 94.63 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.6 1.16 . . . . 74.11 111.29 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CD2' HG12 ' A' ' 89' ' ' ILE . 66.6 t80 -66.99 -61.37 1.97 Allowed 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.226 0.611 . . . . 74.4 110.084 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mt -55.49 -43.42 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 124.275 1.03 . . . . 65.11 112.117 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -57.51 -53.42 58.39 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.459 0.704 . . . . 71.43 111.701 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -77.76 -41.69 36.66 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.067 -0.515 . . . . 65.11 111.975 -171.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.5 t -72.95 148.57 44.16 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.8 0.44 . . . . 75.34 110.265 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -106.97 14.86 25.98 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.246 0.618 . . . . 71.15 110.591 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.55 122.23 17.11 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 123.233 0.613 . . . . 74.32 110.251 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -108.36 133.12 20.69 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 124.383 1.073 . . . . 75.2 108.95 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.22 122.89 12.31 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.41 2.74 . . . . 74.13 111.832 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 39.0 ttm180 -131.22 155.74 46.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.118 1.367 . . . . 75.23 108.789 -171.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.02 104.29 0.55 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.348 0.659 . . . . 74.42 110.202 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.9 -10.16 58.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 115.763 -0.653 . . . . 71.25 113.364 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 7.7 tmtm? -124.2 103.9 8.52 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.96 0.904 . . . . 70.31 108.742 177.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 148.72 24.7 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.541 0.737 . . . . 71.2 109.669 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.1 t -78.96 89.18 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.761 -1.199 . . . . 74.45 107.761 172.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 t -78.44 93.4 4.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.638 -1.165 . . . . 72.13 109.059 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' VAL . 56.7 mt -77.43 110.86 13.87 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.043 -0.98 . . . . 72.34 108.946 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.38 112.99 3.66 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 121.351 1.367 . . . . 74.45 109.989 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 29' ' ' ILE . 61.2 mt -77.23 91.03 3.73 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.338 -0.986 . . . . 75.42 108.338 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.481 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 12.1 t70 -70.47 99.99 1.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.439 -1.255 . . . . 71.11 108.67 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.466 0.354 0 CA-C-N 115.025 -0.989 . . . . 74.34 110.89 -173.843 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 108.155 -1.054 . . . . 73.54 108.155 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.62 -30.98 69.81 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 123.037 0.21 . . . . 64.31 112.729 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -59.5 -56.07 26.57 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.883 0.873 . . . . 71.33 110.555 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.31 -34.13 77.03 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.678 0.791 . . . . 72.53 111.781 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 20' ' ' VAL . 39.8 tp -65.67 -44.03 87.54 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.715 0.634 . . . . 73.43 109.848 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB2' HD13 ' A' ' 54' ' ' LEU . 61.5 ttt180 -65.67 -41.48 92.41 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.214 0.606 . . . . 75.45 110.342 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -69.52 -22.05 63.62 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 71.51 111.207 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.99 -37.09 55.84 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.696 -0.483 . . . . 71.35 109.696 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 43.9 mt -76.47 -33.88 58.7 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.749 0.82 . . . . 75.22 110.545 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.75 -43.84 35.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.949 0.9 . . . . 55.51 111.428 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.35 -34.56 78.24 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.483 0.313 . . . . 71.45 110.764 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -81.68 -66.57 0.87 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.176 -0.466 . . . . 74.34 111.01 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.4 m-90 -102.68 -11.99 18.0 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.944 0.72 . . . . 74.32 112.944 -169.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.87 -1.61 87.92 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 113.707 0.243 . . . . 50.14 113.707 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -132.22 134.53 45.44 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.038 0.935 . . . . 73.21 109.58 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -85.73 93.94 8.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.213 0.605 . . . . 73.52 109.665 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 98.0 m-85 -82.72 160.42 22.36 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.331 0.652 . . . . 54.1 112.55 -176.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.14 140.54 41.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.759 -1.109 . . . . 53.03 108.29 169.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 6' ' ' LEU . 8.8 m -128.76 125.46 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.509 -0.923 . . . . 63.53 108.509 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -116.84 148.46 41.22 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.519 . . . . 70.43 109.983 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' HB3' HD11 ' A' ' 29' ' ' ILE . 45.2 m-85 -86.05 121.39 28.6 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 109.755 -0.461 . . . . 72.44 109.755 173.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.636 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 31.7 tpt180 -99.82 111.61 23.92 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.342 -0.985 . . . . 71.52 108.342 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.44 95.82 6.09 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.587 -1.264 . . . . 72.43 107.587 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 139.59 34.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.868 0.467 . . . . 74.44 109.886 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 63.53 27.84 15.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.081 1.352 . . . . 63.01 111.216 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.1 -3.36 71.66 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 115.78 -0.645 . . . . 74.14 113.677 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -101.05 163.21 12.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.29 1.036 . . . . 54.32 110.736 -171.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.8 tp -116.96 133.14 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-O 121.629 0.728 . . . . 74.04 109.994 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.636 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 59.5 m-85 -130.19 163.54 26.46 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 124.91 1.284 . . . . 75.25 108.135 177.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 tp -128.07 98.34 5.08 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.24 -0.652 . . . . 72.24 109.24 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -87.52 105.34 17.25 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.092 0.557 . . . . 74.13 110.412 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 46.6 t -68.74 103.42 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 N-CA-C 108.789 -0.819 . . . . 64.35 108.789 173.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.5 mmt -64.36 156.1 30.27 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.166 0.986 . . . . 61.51 111.51 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 44.4 p90 -77.39 -14.04 59.8 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.817 0.847 . . . . 74.21 111.638 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -78.28 110.0 12.91 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.098 0.559 . . . . 75.01 109.585 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 18.4 p90 -100.47 158.42 15.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.977 0.511 . . . . 73.35 110.195 173.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' A' ' 50' ' ' TYR . 53.9 tp -62.16 -26.95 68.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.972 0.909 . . . . 73.04 112.529 -171.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 35.3 tt0 -64.86 -23.73 67.32 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.39 0.676 . . . . 62.31 111.544 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -67.06 129.44 39.9 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.348 0.659 . . . . 64.21 110.415 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.39 62.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.958 0.903 . . . . 71.45 111.671 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -85.48 5.46 31.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.223 1.009 . . . . 63.53 111.825 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -68.62 123.54 88.0 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 122.873 0.469 . . . . 74.13 109.948 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.43 3.01 5.67 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.045 2.497 . . . . 73.44 114.701 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.58 157.22 42.68 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.039 0.935 . . . . 74.04 109.916 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -79.82 177.21 9.06 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.701 0.8 . . . . 70.34 109.882 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG2' HD21 ' A' ' 38' ' ' LEU . 45.8 mt-10 -64.79 -41.25 95.96 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.105 0.562 . . . . 70.41 111.731 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 m -72.33 -41.81 66.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.826 0.451 . . . . 74.23 110.69 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.62 -36.49 82.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.973 0.509 . . . . 73.2 110.858 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 54' ' ' LEU . 35.7 t80 -68.31 -39.94 81.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.089 0.955 . . . . 73.02 110.664 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -76.66 -31.16 57.14 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 122.267 0.227 . . . . 62.31 110.587 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.47 -35.58 80.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.139 0.575 . . . . 64.41 110.4 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.78 -46.52 78.43 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.233 -0.894 . . . . 64.3 109.966 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.62 HD13 ' HB2' ' A' ' 7' ' ' ARG . 86.5 mt -60.53 -46.5 89.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 74.25 110.864 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.93 -32.71 69.71 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.949 0.781 . . . . 73.53 111.358 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.3 t -67.99 -46.42 71.37 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.065 0.546 . . . . 73.4 110.188 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.4 t -59.64 -45.81 93.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 O-C-N 124.051 0.844 . . . . 63.2 109.865 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.38 73.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.475 1.11 . . . . 45.41 111.764 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.26 -39.71 86.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.276 1.03 . . . . 63.23 109.724 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -72.28 -35.25 68.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.425 0.69 . . . . 73.11 111.447 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 74.7 mt -63.84 -42.95 97.49 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.565 -0.532 . . . . 64.13 109.565 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -67.08 -46.05 75.46 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.429 -0.805 . . . . 74.43 110.567 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.49 81.47 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.747 0.819 . . . . 74.41 111.772 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -82.52 -19.8 37.97 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.173 -0.921 . . . . 64.25 111.189 -176.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.73 4.99 67.02 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 123.068 0.366 . . . . 52.14 113.036 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -84.22 3.59 85.67 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 119.343 -0.698 . . . . 35.4 114.072 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -60.57 -49.24 78.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.666 0.786 . . . . 71.25 111.825 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.93 -34.29 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 115.041 -0.981 . . . . 73.03 109.822 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -63.97 -39.01 93.17 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.533 0.733 . . . . 75.14 111.955 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 66' ' ' GLY . 79.6 t -64.59 -45.91 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.585 0.754 . . . . 74.23 109.921 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -59.07 -52.17 66.89 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.07 0.856 . . . . 73.14 111.009 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.3 m -60.28 -40.61 91.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.513 1.125 . . . . 64.03 110.768 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.27 -54.45 24.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.53 -0.759 . . . . 61.1 109.979 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 77' ' ' THR . 42.9 mt -63.77 -33.3 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.82 0.848 . . . . 51.24 111.652 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.2 m -66.1 -44.15 85.2 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.327 0.651 . . . . 75.1 110.356 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -84.61 -28.39 26.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.048 0.539 . . . . 74.03 112.397 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.9 t -73.02 148.45 44.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.394 0.616 . . . . 72.34 111.189 -172.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.23 4.1 17.57 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.858 -1.065 . . . . 64.12 109.726 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -83.31 143.6 30.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.459 0.703 . . . . 63.31 110.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 14.2 mtp180 -116.07 143.79 31.6 Favored Pre-proline 0 C--O 1.242 0.674 0 C-N-CA 124.502 1.121 . . . . 73.44 109.614 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.09 118.04 5.37 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.284 1.989 . . . . 70.22 110.778 172.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -122.62 165.14 16.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.645 0.778 . . . . 75.5 109.111 -176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.8 tp -54.62 106.36 0.21 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.532 0.733 . . . . 72.34 111.052 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.78 -28.33 12.57 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.479 -0.782 . . . . 74.04 112.748 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -114.44 119.37 36.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.696 0.799 . . . . 63.43 111.041 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.99 159.08 15.19 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.797 0.839 . . . . 63.13 110.349 171.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.5 t -90.79 89.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 108.067 -1.086 . . . . 64.25 108.067 171.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -77.25 100.47 5.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.963 0.905 . . . . 74.25 109.771 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -85.96 111.43 38.02 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.261 1.024 . . . . 70.41 109.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.41 115.53 4.26 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.298 1.998 . . . . 74.23 111.336 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.41 ' HB2' HG23 ' A' ' 29' ' ' ILE . 70.0 mt -84.43 96.96 9.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.149 -0.686 . . . . 52.3 109.149 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.13 93.5 3.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.357 -0.838 . . . . 71.41 109.725 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.478 0.937 0 CA-C-N 115.691 -0.686 . . . . 70.3 111.171 -172.752 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--O 1.246 0.91 0 CA-C-O 120.583 0.23 . . . . 73.03 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -25.24 70.57 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.983 -0.553 . . . . 73.41 112.711 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -61.18 -47.65 85.19 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.898 0.879 . . . . 70.23 110.644 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.19 -38.51 88.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.783 0.433 . . . . 73.15 111.257 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 20' ' ' VAL . 44.3 tp -64.07 -43.85 94.21 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.139 -0.937 . . . . 72.24 110.366 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -67.06 -41.85 85.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.894 0.878 . . . . 74.12 110.973 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.77 -22.98 66.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.788 0.835 . . . . 70.45 110.936 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.09 -36.76 55.49 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.946 0.898 . . . . 72.51 110.411 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 28.0 mt -71.76 -38.11 70.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.291 0.636 . . . . 72.41 109.873 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.45 -37.2 63.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.866 0.866 . . . . 70.54 110.901 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.65 -56.01 21.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.437 1.095 . . . . 64.33 110.454 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -84.86 -58.95 2.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.43 -1.259 . . . . 72.53 111.823 -169.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.506 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.5 m0 -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.504 0.557 . . . . 73.32 112.504 -168.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.36 4.57 85.97 Favored Glycine 0 C--N 1.348 1.247 0 N-CA-C 114.507 0.563 . . . . 44.1 114.507 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.435 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.8 m-85 -132.25 145.15 51.11 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.964 0.505 . . . . 74.55 109.931 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.6 p -83.62 80.83 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.231 -0.895 . . . . 73.41 109.791 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.435 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 84.1 m-85 -77.57 147.98 35.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.19 0.596 . . . . 73.24 111.99 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.27 141.88 48.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.713 -0.847 . . . . 71.41 108.713 169.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.711 HG21 HD21 ' A' ' 6' ' ' LEU . 17.0 m -129.07 127.19 65.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.422 -0.955 . . . . 62.41 108.422 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -129.94 143.24 50.7 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.992 0.517 . . . . 73.21 110.142 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.593 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.8 m-85 -77.59 152.65 33.85 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.216 -0.902 . . . . 74.24 111.555 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -143.04 120.85 11.92 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.313 -0.858 . . . . 50.12 108.704 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -115.45 107.52 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.789 0.836 . . . . 73.25 108.832 -170.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -144.24 137.99 27.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.52 0.728 . . . . 54.22 109.878 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 59.76 29.36 18.92 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.615 1.166 . . . . 72.31 111.567 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.34 4.57 84.4 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 116.338 -0.392 . . . . 65.31 113.589 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -104.24 160.08 15.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.292 1.037 . . . . 73.44 110.131 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 22' ' ' PHE . 11.1 tp -122.43 136.66 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 109.549 -0.537 . . . . 72.2 109.549 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.62 124.14 27.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.273 1.029 . . . . 74.23 108.742 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -91.49 98.44 11.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.588 -0.893 . . . . 71.24 108.588 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -87.26 111.89 21.48 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 110.134 -0.321 . . . . 73.01 110.134 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.522 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 55.5 t -69.72 112.31 4.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 123.871 0.869 . . . . 53.11 109.49 173.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 36.7 mmt -71.68 156.74 39.02 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.776 0.798 . . . . 73.12 111.347 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -76.6 -14.96 59.95 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.937 1.695 . . . . 74.12 110.825 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -73.33 107.9 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.854 0.862 . . . . 73.0 109.025 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -108.68 153.89 22.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.674 0.39 . . . . 75.3 110.157 172.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.99 -25.36 65.19 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.418 1.074 . . . . 62.42 112.642 -171.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.46 -3.64 28.79 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.684 0.794 . . . . 51.01 112.447 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.46 138.7 32.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.426 0.69 . . . . 64.53 109.654 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.3 62.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.736 0.815 . . . . 73.42 110.928 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.2 p -69.19 -15.06 63.31 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.346 1.058 . . . . 72.32 112.676 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.39 125.79 85.02 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 124.158 0.983 . . . . 75.32 110.602 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -82.08 2.78 8.3 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.919 2.412 . . . . 62.33 114.721 -165.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.5 mtm -123.0 154.9 37.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.308 0.643 . . . . 75.41 110.4 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -77.39 170.33 16.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.63 0.772 . . . . 60.21 109.956 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.49 -61.46 2.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.965 0.906 . . . . 74.14 112.684 -170.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 14.3 m -65.97 -36.6 83.78 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.693 0.797 . . . . 74.34 110.839 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.24 -31.09 70.33 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.054 0.541 . . . . 71.11 111.31 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 15.9 t80 -66.6 -37.99 86.07 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.247 0.619 . . . . 74.32 110.321 170.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -67.12 -38.67 85.99 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.107 0.563 . . . . 73.53 110.537 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 48' ' ' THR . 17.0 mm-40 -70.48 -30.65 67.51 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.972 0.509 . . . . 74.22 110.746 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -64.05 -48.34 76.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.501 0.72 . . . . 72.22 110.254 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 73.0 mt -61.89 -38.06 86.9 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.625 0.578 . . . . 64.53 110.804 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.22 -29.36 62.75 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.911 -1.04 . . . . 73.02 110.617 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 t -70.28 -43.05 71.24 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.859 0.864 . . . . 73.52 110.182 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.7 t -61.24 -47.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 114.995 -1.002 . . . . 45.55 109.891 176.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.0 -24.13 62.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.737 0.815 . . . . 73.41 111.878 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.09 -44.27 84.87 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.518 0.727 . . . . 71.5 109.662 172.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.06 -40.15 94.31 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.341 -0.845 . . . . 75.11 110.842 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.4 mt -62.59 -39.31 93.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.886 0.474 . . . . 73.21 110.644 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.87 -49.45 70.47 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.394 0.677 . . . . 75.21 110.56 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.47 97.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.435 0.694 . . . . 61.42 112.286 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.78 -18.04 48.91 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.422 -0.808 . . . . 71.31 111.637 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.84 85.9 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 112.139 -0.385 . . . . 72.22 112.139 -168.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.45 -2.91 88.43 Favored Glycine 0 C--N 1.352 1.456 0 CA-C-O 119.464 -0.631 . . . . 71.03 113.068 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.82 -49.0 76.65 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.59 0.756 . . . . 74.55 110.984 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.67 -30.68 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 114.911 -1.04 . . . . 64.41 110.487 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -66.57 -45.57 78.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.018 0.527 . . . . 44.43 110.725 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 89' ' ' ILE . 88.9 t -66.69 -45.07 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.493 0.717 . . . . 75.31 110.939 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -62.04 -54.19 44.92 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.66 -0.7 . . . . 74.44 110.906 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -58.75 -43.24 90.23 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.92 0.888 . . . . 73.45 111.556 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.59 -59.67 4.32 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.495 0.497 . . . . 74.43 110.519 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.559 ' HA ' HG22 ' A' ' 77' ' ' THR . 52.7 mt -62.65 -37.14 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.476 0.71 . . . . 51.13 111.365 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -65.52 -38.16 88.85 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.327 0.651 . . . . 72.1 111.77 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -95.8 -10.41 29.12 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.47 0.545 . . . . 74.53 112.47 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 74' ' ' ILE . 5.9 t -97.45 157.67 15.88 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.591 0.632 . . . . 62.54 109.603 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -127.93 27.86 5.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.48 1.112 . . . . 72.43 108.229 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -99.03 125.14 44.44 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.62 0.768 . . . . 71.23 110.634 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 67.7 mtp180 -100.34 146.13 31.45 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.268 -0.878 . . . . 74.25 110.65 -177.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.53 141.12 41.31 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.551 2.167 . . . . 73.41 111.476 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 2.9 tmt_? -136.22 162.09 33.93 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.821 1.248 . . . . 75.43 108.089 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.54 104.01 0.1 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.496 0.718 . . . . 74.14 111.425 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.4 -34.28 5.68 Favored Glycine 0 N--CA 1.473 1.158 0 CA-C-N 115.685 -0.689 . . . . 54.1 112.284 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 23.4 tptm -87.96 113.4 23.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.716 1.206 . . . . 74.45 110.754 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.87 147.87 24.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.51 . . . . 64.42 110.364 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.522 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.2 t -89.44 91.68 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.098 -1.075 . . . . 61.32 108.098 171.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 t -78.43 105.47 9.71 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.483 0.713 . . . . 50.31 109.332 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -87.78 113.13 53.13 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.501 0.72 . . . . 71.31 109.23 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.56 113.69 3.59 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 121.992 1.795 . . . . 55.03 110.652 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HB2' HG23 ' A' ' 29' ' ' ILE . 57.8 mt -89.45 95.0 10.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.5 -0.926 . . . . 73.5 108.5 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.36 107.69 1.71 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.149 -0.685 . . . . 65.12 109.149 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 CA--C 1.538 0.515 0 CA-C-N 114.988 -1.006 . . . . 74.41 109.522 171.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 4' ' ' GLN . 4.2 t . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.554 -0.536 . . . . 73.04 109.554 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.29 -17.76 53.52 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-N 115.697 -0.683 . . . . 51.43 113.617 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 58.7 tt0 -62.49 -61.81 2.18 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.665 0.786 . . . . 72.42 109.78 171.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.43 -35.57 68.0 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.186 0.594 . . . . 75.33 111.701 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 20' ' ' VAL . 17.2 tp -69.28 -47.69 63.83 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.234 -0.894 . . . . 72.33 111.349 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' NH2' ' HG2' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -67.66 -39.33 84.54 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 118.112 0.414 . . . . 71.13 110.951 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -66.71 -27.55 67.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.966 0.506 . . . . 71.43 111.41 -176.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.33 -38.97 78.44 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.588 0.755 . . . . 74.01 109.879 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.1 mt -76.85 -33.82 57.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.922 0.889 . . . . 73.23 110.821 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.6 mt -77.97 -29.43 49.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.295 1.038 . . . . 64.4 111.097 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.76 -44.05 21.42 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.288 -0.415 . . . . 74.42 109.888 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 74' ' ' ILE . 24.8 tptp -76.67 -57.97 3.55 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.662 -0.699 . . . . 74.02 111.614 -172.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -107.9 -16.65 14.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.872 0.469 . . . . 72.13 111.782 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.27 6.5 68.68 Favored Glycine 0 N--CA 1.472 1.075 0 CA-C-O 119.911 -0.383 . . . . 61.22 113.988 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 92.0 m-85 -142.22 147.43 36.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.466 0.706 . . . . 73.13 110.248 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -86.93 86.42 7.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.518 0.727 . . . . 72.12 109.895 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.7 m-85 -79.22 146.38 33.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.369 0.668 . . . . 55.41 112.019 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.72 128.89 37.69 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.882 -0.414 . . . . 71.21 109.882 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 HD21 ' A' ' 6' ' ' LEU . 16.3 m -114.21 126.82 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 108.602 -0.888 . . . . 73.21 108.602 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -142.23 143.87 33.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.798 0.439 . . . . 53.2 110.209 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 29' ' ' ILE . 81.9 m-85 -74.72 158.83 32.88 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.699 0.8 . . . . 70.3 111.601 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 19.1 tpt180 -146.25 117.92 8.09 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.443 -0.798 . . . . 62.11 109.266 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.89 111.49 24.03 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.761 0.825 . . . . 73.44 109.621 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -145.93 137.36 24.87 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 109.377 -0.601 . . . . 61.43 109.377 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 64.93 15.53 9.99 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.986 1.314 . . . . 72.14 112.93 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.0 0.79 77.22 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-O 120.499 -0.056 . . . . 74.42 113.073 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.17 162.61 12.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.12 0.968 . . . . 74.2 110.741 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -123.85 134.78 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.642 0.777 . . . . 74.35 109.303 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 82.8 m-85 -132.05 135.97 46.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.78 1.232 . . . . 72.01 109.083 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -97.39 100.35 11.79 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.149 -0.685 . . . . 74.3 109.149 171.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -90.37 109.36 20.48 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.227 0.537 . . . . 63.11 110.959 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -74.44 106.64 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 114.597 -1.183 . . . . 73.11 109.311 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -63.13 163.87 9.44 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.299 1.039 . . . . 50.31 112.101 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.543 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 25.2 p90 -85.77 -8.16 58.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.618 1.167 . . . . 72.42 112.217 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -96.65 144.01 27.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.957 0.503 . . . . 72.32 110.095 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -135.05 159.39 41.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.103 -0.953 . . . . 73.31 110.835 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' HD2' ' A' ' 50' ' ' TYR . 48.8 tp -67.38 -22.92 65.54 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.222 1.009 . . . . 71.22 112.404 -171.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -70.95 -11.2 60.83 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.321 0.649 . . . . 53.33 110.892 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -84.62 131.35 34.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.833 0.853 . . . . 65.1 109.399 168.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -11.41 60.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.402 0.681 . . . . 74.32 111.105 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.6 t -84.13 -11.44 56.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.111 0.964 . . . . 74.31 111.702 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.28 124.2 76.76 Favored Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 123.794 0.837 . . . . 74.01 110.295 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.21 -37.74 59.75 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 123.519 2.813 . . . . 43.24 113.947 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.1 mtm -96.55 144.6 26.48 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.031 0.532 . . . . 64.12 110.001 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -83.36 -179.1 7.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.781 0.832 . . . . 74.23 109.356 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.0 mt-10 -59.81 -45.29 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.784 0.661 . . . . 72.15 112.784 -171.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.8 m -81.16 -33.09 33.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.851 0.46 . . . . 34.31 110.529 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -59.39 -48.48 81.48 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.515 0.674 . . . . 73.41 110.268 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.509 ' HD2' HD22 ' A' ' 38' ' ' LEU . 48.8 t80 -72.9 -33.9 66.31 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 114.401 -1.272 . . . . 73.22 111.643 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.503 ' HG2' ' NH2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -66.78 -46.98 73.58 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.253 0.549 . . . . 73.3 109.71 -177.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.98 -26.06 62.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.471 -0.786 . . . . 73.42 111.014 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -63.75 -44.25 94.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.533 0.733 . . . . 72.51 110.199 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 7' ' ' ARG . 87.4 mt -59.71 -49.07 79.17 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.3 0.64 . . . . 64.33 110.811 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.18 -32.48 73.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 124.012 0.82 . . . . 74.03 110.796 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.2 t -70.22 -46.92 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.557 0.743 . . . . 72.1 110.62 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 40.5 t -61.1 -44.13 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.777 0.831 . . . . 71.12 110.192 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -28.28 67.05 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.672 1.189 . . . . 64.31 111.858 -176.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.84 -46.87 76.92 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.483 -0.781 . . . . 74.43 109.584 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.82 -33.44 75.87 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.69 0.619 . . . . 63.52 111.743 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 78.7 mt -61.06 -41.83 97.35 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 122.446 0.299 . . . . 64.13 110.63 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -76.2 -40.21 52.83 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.458 0.303 . . . . 74.34 111.223 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.96 90.97 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.04 0.936 . . . . 71.12 110.953 -177.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.3 -24.31 29.92 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.311 -1.313 . . . . 62.11 110.703 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.6 8.99 61.85 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 113.795 0.278 . . . . 73.55 113.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -86.16 4.02 86.45 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-O 119.532 -0.593 . . . . 72.21 113.543 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.44 87.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.557 0.743 . . . . 53.13 111.872 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -35.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 115.491 -0.777 . . . . 74.1 110.06 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.25 -33.69 74.85 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.455 0.702 . . . . 74.42 111.353 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 66' ' ' GLY . 87.0 t -68.97 -46.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.671 0.788 . . . . 75.14 110.225 173.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -69.83 -22.18 63.3 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.241 -0.89 . . . . 74.42 111.81 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -78.19 -54.87 5.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.262 -0.644 . . . . 60.12 109.262 173.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -63.39 -59.72 4.32 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.148 -0.933 . . . . 71.32 111.211 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 52.9 mt -56.92 -45.92 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.602 0.761 . . . . 73.32 111.451 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -65.63 -27.66 68.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.299 0.64 . . . . 73.41 111.889 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -95.12 -33.93 12.47 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.816 0.673 . . . . 54.44 112.816 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -76.9 126.82 31.62 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.145 0.498 . . . . 72.44 111.162 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -87.35 6.43 33.66 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.272 0.629 . . . . 74.43 110.888 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.78 140.88 40.9 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.433 0.693 . . . . 72.25 110.021 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -115.36 142.96 29.51 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.395 -0.82 . . . . 73.45 109.328 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.543 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 45.4 Cg_endo -70.06 119.18 6.15 Favored 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.04 1.827 . . . . 71.15 110.412 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 77.1 ttt180 -125.21 162.1 25.43 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.963 1.305 . . . . 75.34 108.848 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.4 tp -48.52 111.96 0.53 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.274 0.63 . . . . 55.43 110.709 174.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.74 -34.65 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.032 -0.531 . . . . 50.15 112.627 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 61.8 tttp -90.94 103.19 15.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.808 0.843 . . . . 65.35 110.821 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.87 137.17 32.6 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.361 -0.607 . . . . 75.11 109.361 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.2 t -76.85 88.16 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 N-CA-C 108.116 -1.068 . . . . 73.44 108.116 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -83.34 108.33 16.46 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.263 -0.881 . . . . 71.31 109.309 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.7 mt -89.52 109.68 33.57 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.056 0.942 . . . . 73.03 109.341 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.01 112.31 2.68 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 121.724 1.616 . . . . 74.42 110.24 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.616 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.6 mt -84.82 95.62 9.04 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.729 -0.841 . . . . 74.24 108.729 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.61 90.44 1.36 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.537 -1.21 . . . . 54.34 110.587 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.1 mt . . . . . 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 74.3 110.35 179.737 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.498 -0.186 . . . . 61.12 110.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.45 -23.2 73.51 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.414 0.446 . . . . 75.05 112.812 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -61.04 -51.05 70.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.054 0.942 . . . . 70.54 109.594 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -67.89 -39.81 83.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.365 -0.834 . . . . 73.34 110.478 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.611 HD21 HG21 ' A' ' 20' ' ' VAL . 47.1 tp -61.88 -44.17 97.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.321 -0.854 . . . . 72.15 110.437 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.532 HH22 HD23 ' A' ' 38' ' ' LEU . 44.6 ttt180 -63.64 -46.05 87.4 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.088 0.555 . . . . 65.44 110.566 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.77 -24.47 67.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.575 0.75 . . . . 53.4 112.133 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.71 -40.34 63.66 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.526 0.731 . . . . 64.11 110.138 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.0 mt -71.3 -35.82 71.43 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.596 0.759 . . . . 63.33 110.19 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.92 -36.05 56.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.858 0.863 . . . . 75.22 111.427 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.22 -49.4 72.13 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.769 0.668 . . . . 54.44 111.184 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -85.77 -50.24 7.31 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.475 -0.784 . . . . 73.43 111.565 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 18.6 m0 -105.59 -23.08 12.85 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.8 0.667 . . . . 75.51 112.8 -169.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.48 81.06 Favored Glycine 0 N--CA 1.479 1.566 0 N-CA-C 114.085 0.394 . . . . 42.42 114.085 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -132.84 143.29 49.43 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.458 0.703 . . . . 60.23 109.614 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -87.31 81.47 7.89 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.506 -0.924 . . . . 75.41 108.506 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -75.56 145.2 41.42 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.599 0.76 . . . . 75.22 111.518 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.61 143.49 56.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.072 -0.714 . . . . 55.34 109.072 173.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.611 HG21 HD21 ' A' ' 6' ' ' LEU . 14.6 m -129.41 138.86 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.962 0.905 . . . . 74.31 108.867 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.05 145.88 26.64 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.494 0.717 . . . . 71.24 110.631 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 29' ' ' ILE . 93.8 m-85 -81.31 152.5 27.53 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.583 0.753 . . . . 63.25 110.565 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -145.78 129.1 16.8 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.054 0.942 . . . . 74.55 109.009 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -100.45 96.36 7.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.625 -0.88 . . . . 75.0 108.625 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -133.37 139.56 46.87 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.921 -0.77 . . . . 74.42 108.921 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 68.82 18.03 8.67 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.175 1.39 . . . . 73.0 111.462 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.37 6.3 86.35 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.5 -0.318 . . . . 64.33 113.08 -176.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -106.48 -176.42 3.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.889 1.276 . . . . 34.21 109.637 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 22' ' ' PHE . 9.8 tp -130.93 129.45 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 N-CA-C 109.282 -0.636 . . . . 72.31 109.282 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.07 130.56 45.03 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.245 1.018 . . . . 54.32 109.278 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.7 tp -92.8 100.14 12.68 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.825 -0.806 . . . . 70.3 108.825 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -85.19 112.76 21.01 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 109.758 -0.46 . . . . 55.12 109.758 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.411 HG22 HG12 ' A' ' 20' ' ' VAL . 29.7 t -79.31 105.23 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 114.958 -1.019 . . . . 71.33 109.017 174.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.43 152.07 44.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.614 1.165 . . . . 65.02 111.671 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 36.0 p90 -73.67 -18.99 60.96 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.28 1.032 . . . . 75.24 111.808 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.83 115.63 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.792 0.837 . . . . 74.43 109.308 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 3.9 p90 -110.53 164.99 12.17 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.006 0.922 . . . . 74.43 109.606 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 HH22 ' A' ' 7' ' ' ARG . 42.5 tp -68.42 -23.78 64.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 118.877 0.762 . . . . 73.31 111.703 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -70.7 -5.5 30.2 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.838 0.855 . . . . 73.21 110.936 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tp60 -59.87 132.03 52.69 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 124.71 1.204 . . . . 64.3 110.458 177.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.0 -21.96 66.72 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.137 0.575 . . . . 74.5 111.867 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -134.9 68.22 1.48 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.698 0.799 . . . . 75.23 109.763 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.09 121.99 81.18 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.182 -1.044 . . . . 74.31 108.182 169.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.15 -11.66 6.27 Favored 'Trans proline' 0 N--CA 1.513 2.638 0 C-N-CA 123.921 3.08 . . . . 74.33 115.545 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 mtp -123.7 156.3 36.22 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.005 0.922 . . . . 74.15 110.183 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.621 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 72.8 m-20 -76.56 171.73 14.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.111 0.564 . . . . 65.31 110.588 175.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.79 -41.08 97.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.949 0.9 . . . . 74.5 111.064 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -67.77 -46.38 72.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.623 0.769 . . . . 70.53 110.523 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.6 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.125 0.97 . . . . 71.12 110.222 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' HD2' HD22 ' A' ' 38' ' ' LEU . 68.4 t80 -70.25 -38.77 75.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.092 -1.413 . . . . 72.0 112.079 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.7 -44.77 80.82 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.647 -0.501 . . . . 61.41 109.647 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.83 -23.72 62.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.81 0.844 . . . . 73.41 111.275 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.57 -45.94 74.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.104 0.562 . . . . 74.45 109.882 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 7' ' ' ARG . 96.0 mt -60.68 -38.83 86.24 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.835 0.709 . . . . 71.04 110.146 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.99 -39.67 87.19 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.137 0.898 . . . . 62.13 110.881 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -66.22 -48.08 71.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.396 0.678 . . . . 52.45 110.474 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.08 -50.91 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.993 0.917 . . . . 71.43 110.331 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -70.12 -19.76 63.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.979 0.911 . . . . 74.14 112.015 -177.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.28 -33.97 61.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.974 0.51 . . . . 60.25 110.007 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -71.96 -39.93 69.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.752 0.421 . . . . 62.01 109.997 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 58' ' ' ALA . 85.8 mt -59.79 -33.35 71.61 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.284 0.564 . . . . 73.31 110.068 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -72.06 -45.72 59.67 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.042 0.937 . . . . 72.54 111.281 172.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -21.76 59.52 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.879 0.872 . . . . 72.15 112.579 -172.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -103.74 -24.06 13.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.368 0.667 . . . . 62.11 110.499 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.47 18.18 49.86 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.936 -0.575 . . . . 62.22 112.11 -173.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.69 2.67 80.53 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-O 119.355 -0.692 . . . . 64.3 113.957 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.84 65.42 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.564 0.682 . . . . 75.21 110.902 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.43 -34.45 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 123.72 0.637 . . . . 73.44 110.521 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 9.5 mm-40 -63.48 -39.37 94.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.21 0.604 . . . . 75.24 110.546 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.11 -48.04 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.949 0.9 . . . . 75.14 111.039 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.01 -47.86 79.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.055 0.942 . . . . 74.44 111.181 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.0 m -64.4 -48.68 74.49 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.379 1.072 . . . . 65.2 110.867 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -65.61 -46.32 79.79 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.872 0.469 . . . . 72.3 111.394 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 77' ' ' THR . 47.9 mt -65.94 -36.67 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.301 0.64 . . . . 71.31 111.301 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.1 m -62.6 -38.82 91.67 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.331 0.652 . . . . 73.22 110.954 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -75.27 -49.16 20.15 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.378 0.671 . . . . 65.44 111.72 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.6 t -71.27 116.08 11.17 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.452 0.644 . . . . 73.13 110.978 -171.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.43 -6.25 57.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.659 0.784 . . . . 72.14 110.483 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 124.093 0.957 . . . . 65.52 110.463 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 98.4 mtt180 -122.95 148.12 53.19 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.262 1.025 . . . . 74.32 109.907 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.43 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 35.9 Cg_exo -60.35 119.07 6.05 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.184 1.923 . . . . 63.44 111.108 172.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 8.5 tpt180 -114.3 165.39 12.75 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.615 1.166 . . . . 74.14 107.864 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.33 114.76 3.09 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 118.775 0.716 . . . . 72.42 110.694 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.5 -7.58 81.63 Favored Glycine 0 C--N 1.349 1.287 0 CA-C-N 115.876 -0.602 . . . . 75.34 113.567 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 50.6 tptt -118.5 104.86 11.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 72.0 109.935 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.92 152.59 21.16 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.266 0.626 . . . . 74.43 109.603 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.46 95.03 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.384 -0.969 . . . . 62.12 108.384 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.4 t -78.43 114.96 17.8 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.681 0.792 . . . . 73.11 110.016 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.6 mt -96.71 110.27 52.44 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 123.641 0.777 . . . . 72.4 109.413 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.24 113.7 3.77 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.273 1.982 . . . . 52.24 110.937 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.597 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.6 mt -93.1 111.53 23.19 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 108.226 -1.027 . . . . 64.34 108.226 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.424 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 26.1 t70 -77.41 97.02 4.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.228 -0.656 . . . . 64.23 109.228 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 107.833 -1.173 . . . . 63.12 107.833 163.034 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 108.895 -0.779 . . . . 72.1 108.895 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.92 68.18 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.302 0.376 . . . . 73.55 112.292 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.69 -58.24 8.19 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.521 1.128 . . . . 73.22 110.168 172.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -60.55 -36.64 78.94 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.572 0.545 . . . . 63.4 111.951 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 HG21 ' A' ' 20' ' ' VAL . 36.3 tp -68.27 -46.03 71.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.42 -0.809 . . . . 75.41 110.557 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.478 ' HB2' HD13 ' A' ' 54' ' ' LEU . 75.0 ttt180 -64.12 -42.04 97.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.166 0.586 . . . . 75.44 110.891 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -67.93 -26.58 66.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.01 0.924 . . . . 64.04 111.263 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.12 -37.94 78.63 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.616 0.766 . . . . 70.21 110.105 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 36.2 mt -74.92 -36.16 62.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.727 0.811 . . . . 74.02 110.408 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.71 -35.11 65.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.807 0.843 . . . . 74.04 111.541 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.46 -34.65 74.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.943 -0.571 . . . . 73.0 110.39 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -85.08 -66.82 0.85 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.049 -0.523 . . . . 64.5 111.469 -173.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.402 ' HB2' ' HE2' ' A' ' 18' ' ' TYR . 5.3 m-90 -105.33 -16.89 14.63 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.257 0.623 . . . . 71.31 111.436 -170.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.96 69.5 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 116.247 -0.433 . . . . 71.13 113.876 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 97.0 m-85 -137.35 149.78 47.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.298 0.639 . . . . 75.03 109.559 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 m -88.76 90.97 8.63 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.343 -0.984 . . . . 63.23 108.343 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.8 m-85 -82.6 148.05 28.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.941 0.496 . . . . 73.44 111.285 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.87 110.49 9.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.519 -0.764 . . . . 71.11 109.35 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 HD21 ' A' ' 6' ' ' LEU . 30.1 m -102.68 129.8 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.495 -0.928 . . . . 54.22 108.495 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -143.33 143.57 31.73 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.203 0.601 . . . . 60.5 110.594 -174.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 29' ' ' ILE . 67.8 m-85 -74.3 146.81 42.86 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.525 0.73 . . . . 65.3 111.287 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -144.42 126.46 15.49 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.652 -0.87 . . . . 74.01 108.652 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -108.34 110.96 22.66 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.541 0.736 . . . . 63.14 109.188 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 t -137.26 137.65 39.25 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 123.091 0.557 . . . . 74.24 110.012 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 72.31 -13.0 0.66 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.651 1.581 . . . . 63.35 113.199 174.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.35 -12.43 7.52 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 123.094 0.378 . . . . 41.33 112.236 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -102.93 167.83 9.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.726 0.81 . . . . 64.13 111.984 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.4 tp -116.97 132.26 67.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.183 0.993 . . . . 74.23 109.789 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -131.02 126.98 37.36 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.328 1.051 . . . . 64.13 108.992 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.4 tp -91.49 100.47 13.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.026 -0.731 . . . . 73.45 109.026 173.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -87.83 113.08 23.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.224 0.535 . . . . 74.14 110.858 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.5 t -72.76 103.91 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.568 -1.196 . . . . 71.52 108.64 169.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.81 150.69 47.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.294 0.638 . . . . 71.01 110.309 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -70.18 -17.41 63.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.591 1.156 . . . . 72.42 110.923 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.49 102.36 3.2 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.661 0.784 . . . . 75.13 109.701 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -97.11 164.02 12.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.233 0.613 . . . . 73.32 110.439 173.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.7 tp -62.41 -23.4 66.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.405 0.682 . . . . 75.24 112.538 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.38 -10.38 59.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.767 0.427 . . . . 75.24 112.111 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 43' ' ' PHE . 84.3 mm-40 -64.33 127.37 31.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.033 0.533 . . . . 74.04 109.792 173.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.38 71.76 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.246 0.618 . . . . 70.1 110.441 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 t -98.31 28.36 4.14 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.788 0.835 . . . . 74.34 110.799 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.493 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t80 -73.7 129.83 84.59 Favored Pre-proline 0 CA--C 1.554 1.12 0 N-CA-C 109.042 -0.725 . . . . 73.15 109.042 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.21 -13.67 40.4 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 123.308 2.672 . . . . 61.43 114.343 -171.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 70.9 mtm -123.85 157.86 33.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.597 0.759 . . . . 75.53 110.431 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -100.2 176.11 5.5 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.741 -0.837 . . . . 71.31 108.741 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.41 -43.91 75.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.251 1.02 . . . . 62.54 113.075 -170.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.5 m -63.64 -61.79 2.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.624 0.77 . . . . 62.54 111.338 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -66.67 -27.7 67.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.129 0.572 . . . . 74.24 111.747 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.61 -43.11 73.4 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.075 0.55 . . . . 73.53 110.817 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -66.77 -41.86 87.03 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.961 -0.755 . . . . 64.42 108.961 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.05 -25.66 62.74 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.072 -0.967 . . . . 71.11 111.264 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -66.51 -43.71 84.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.522 0.729 . . . . 64.21 109.976 171.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 7' ' ' ARG . 88.3 mt -63.38 -39.44 94.52 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.005 0.522 . . . . 75.42 110.185 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.05 -33.12 73.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.1 -0.955 . . . . 65.23 110.874 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -67.39 -41.69 84.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.693 0.797 . . . . 63.12 110.617 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.409 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 53.2 t -66.3 -50.89 64.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.661 -0.699 . . . . 63.24 110.348 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -26.29 68.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.362 1.065 . . . . 44.53 112.036 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.32 -48.25 78.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.011 0.924 . . . . 73.44 110.361 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -71.03 -33.7 70.59 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.008 0.523 . . . . 75.45 111.612 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.96 -39.37 91.89 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.162 0.506 . . . . 72.1 110.111 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -68.65 -39.86 80.5 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.983 -1.008 . . . . 73.54 110.848 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.38 59.12 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.701 0.8 . . . . 44.42 112.895 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.1 mt -108.36 -14.79 14.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.134 0.574 . . . . 65.25 111.931 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.92 11.44 73.51 Favored Glycine 0 C--N 1.348 1.248 0 N-CA-C 112.33 -0.308 . . . . 63.3 112.33 -172.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.15 -4.41 90.24 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-O 119.496 -0.613 . . . . 55.14 113.305 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.63 83.45 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.256 0.528 . . . . 54.31 110.962 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.52 -35.02 64.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 O-C-N 124.203 0.939 . . . . 32.21 110.022 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -64.5 -45.22 88.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.398 0.679 . . . . 71.12 111.491 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.26 -42.54 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 123.85 0.718 . . . . 75.24 110.918 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -59.78 -59.1 5.97 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.943 0.777 . . . . 62.35 110.732 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.8 m -60.67 -40.25 91.42 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.305 1.003 . . . . 71.15 111.332 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.74 -59.17 4.91 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.746 0.654 . . . . 64.44 110.329 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt -61.12 -36.91 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.769 0.828 . . . . 72.5 111.748 -176.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.0 m -72.78 -26.54 61.57 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.149 0.58 . . . . 74.04 111.865 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -95.91 -44.47 7.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.203 -0.311 . . . . 65.13 111.745 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.0 t -66.93 163.27 20.04 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.237 0.541 . . . . 61.31 111.216 -175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -126.48 16.83 7.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.874 0.87 . . . . 72.33 110.203 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.54 137.87 38.86 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.788 0.835 . . . . 74.03 110.859 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.65 133.53 22.2 Favored Pre-proline 0 N--CA 1.469 0.5 0 C-N-CA 124.232 1.013 . . . . 71.11 109.353 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.79 119.69 6.7 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.079 1.853 . . . . 42.4 110.277 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.49 170.12 9.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.177 0.991 . . . . 74.13 109.184 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.35 94.73 0.12 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.992 0.517 . . . . 73.22 110.839 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.47 -29.14 8.89 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 111.743 -0.543 . . . . 71.44 111.743 -175.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -92.4 110.55 21.96 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 64.51 110.448 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.8 136.16 43.13 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.059 0.544 . . . . 75.42 109.711 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 89.7 t -78.23 89.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.567 -0.901 . . . . 64.52 108.567 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -78.78 100.59 7.19 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.283 -0.871 . . . . 75.3 108.893 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.1 108.42 11.48 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 124.122 0.969 . . . . 71.32 109.212 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.03 115.43 4.27 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.162 1.908 . . . . 45.42 110.525 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.503 ' HB2' HG23 ' A' ' 29' ' ' ILE . 63.4 mt -78.61 92.29 4.7 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.601 -0.889 . . . . 64.34 108.601 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.43 99.8 0.44 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.128 -0.942 . . . . 74.22 109.402 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 CA--C 1.533 0.315 0 CA-C-N 115.314 -0.857 . . . . 72.14 109.099 -179.844 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 110.109 -0.33 . . . . 75.54 110.109 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.68 71.19 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 112.339 -0.304 . . . . 73.51 112.339 171.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.83 -57.38 12.89 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.998 0.919 . . . . 72.2 110.377 170.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.59 -36.73 79.24 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.745 0.818 . . . . 53.03 111.688 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 20' ' ' VAL . 53.3 tp -60.36 -45.88 91.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.85 0.86 . . . . 75.22 110.18 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.531 ' HB2' HD13 ' A' ' 54' ' ' LEU . 57.4 ttt180 -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.419 0.449 . . . . 73.44 110.362 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.03 -22.06 66.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.612 0.765 . . . . 74.42 112.006 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -74.47 -40.98 61.53 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.509 0.724 . . . . 62.41 109.585 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.8 mt -70.95 -32.39 69.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.824 0.849 . . . . 75.22 110.448 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.54 -34.99 30.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.142 0.977 . . . . 72.24 111.608 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.92 -40.37 75.59 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.892 0.477 . . . . 72.4 110.187 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.99 -63.73 1.35 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.16 -0.927 . . . . 74.43 111.649 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -104.76 -30.28 10.01 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.161 -0.472 . . . . 63.32 111.456 -171.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.13 21.12 46.93 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.35 -0.387 . . . . 74.31 113.308 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -133.0 138.59 46.88 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.801 0.84 . . . . 75.22 109.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.8 78.65 9.5 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.122 0.569 . . . . 65.43 109.795 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -75.13 149.77 38.96 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.229 0.612 . . . . 74.51 111.246 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 9.4 p-10 -84.63 131.18 34.63 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.096 -0.705 . . . . 70.44 109.096 169.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 6' ' ' LEU . 19.9 m -105.44 131.24 55.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 108.809 -0.812 . . . . 53.22 108.809 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -131.16 141.41 50.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.109 0.563 . . . . 73.14 110.193 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.2 m-85 -73.12 153.69 40.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.296 0.638 . . . . 72.31 111.161 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -143.08 104.1 4.25 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.667 -1.234 . . . . 63.22 107.667 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -103.31 94.48 5.53 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.994 -1.484 . . . . 71.4 106.994 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -128.11 139.23 52.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.794 -1.094 . . . . 74.55 108.652 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 65.33 9.28 5.56 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.055 1.342 . . . . 72.02 111.809 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.82 67.04 Favored Glycine 0 C--N 1.353 1.523 0 C-N-CA 123.49 0.567 . . . . 71.02 112.82 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -100.21 139.43 35.89 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.306 0.642 . . . . 75.2 110.117 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -100.52 129.92 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.347 0.594 . . . . 63.01 109.596 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -128.51 130.63 47.74 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.651 1.18 . . . . 53.45 108.547 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 61' ' ' LEU . 42.1 tp -91.53 99.59 12.5 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.011 -0.737 . . . . 75.31 109.011 171.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.81 106.57 18.46 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 122.964 0.505 . . . . 73.43 110.672 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 39.4 t -71.26 111.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.01 0.924 . . . . 75.42 108.889 173.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.2 mmt -67.59 161.24 26.1 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.238 0.542 . . . . 72.35 111.555 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.498 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.1 p90 -83.3 -10.24 58.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.658 -1.155 . . . . 74.04 110.875 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -89.17 142.04 27.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.206 0.602 . . . . 72.43 109.739 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -135.46 156.69 48.5 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.126 0.97 . . . . 64.02 109.537 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.55 -31.15 63.89 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.968 0.907 . . . . 74.21 112.761 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.71 -14.11 57.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.558 0.947 . . . . 64.15 113.558 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -75.28 140.25 43.03 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 110.062 -0.347 . . . . 55.35 110.062 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.11 -17.99 56.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.113 0.565 . . . . 71.33 110.446 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 t -77.32 -15.58 59.34 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.133 0.973 . . . . 63.33 111.224 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 5.5 t80 -67.27 124.79 89.88 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 124.123 0.969 . . . . 74.1 108.962 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -88.88 7.92 4.12 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.67 2.247 . . . . 71.21 113.377 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.1 mtp -113.82 132.15 55.98 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.1 0.96 . . . . 63.51 109.213 -173.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -74.2 176.39 6.66 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.741 0.816 . . . . 54.32 111.075 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -58.62 -67.37 0.37 Allowed 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 124.218 1.007 . . . . 74.02 112.635 -176.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 m -65.57 -34.74 78.96 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.0 0.92 . . . . 71.11 110.688 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.61 -33.5 75.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.607 0.763 . . . . 73.5 111.56 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.72 -41.14 96.19 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.887 0.475 . . . . 72.23 110.309 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -66.95 -36.05 81.35 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 109.591 -0.522 . . . . 71.52 109.591 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.11 -37.42 85.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.314 0.646 . . . . 72.53 111.437 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.33 -46.95 86.4 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.956 -0.565 . . . . 63.34 110.329 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 7' ' ' ARG . 93.6 mt -62.73 -45.41 92.84 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.798 0.686 . . . . 65.44 111.25 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.62 -38.78 92.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.924 -1.035 . . . . 74.52 110.698 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.1 t -65.12 -47.45 77.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.84 0.713 . . . . 73.42 110.678 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG11 HG23 ' A' ' 20' ' ' VAL . 67.1 t -63.33 -51.85 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.466 -0.788 . . . . 72.23 111.001 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.531 ' HB2' HD22 ' A' ' 6' ' ' LEU . . . -65.63 -26.46 67.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.437 0.695 . . . . 64.13 112.337 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -65.94 -42.52 89.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.238 0.615 . . . . 73.35 109.649 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.12 -44.39 88.88 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.617 0.573 . . . . 73.25 111.26 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.6 mt -59.02 -39.17 81.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.376 0.671 . . . . 73.44 110.779 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.85 -31.73 57.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.659 0.783 . . . . 74.2 111.068 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.67 73.97 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.602 0.761 . . . . 21.31 111.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.2 mt -95.37 -23.31 17.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.953 0.901 . . . . 64.12 110.945 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.49 6.57 64.15 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 116.584 -0.28 . . . . 72.05 113.065 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -85.47 0.91 88.51 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 119.471 -0.627 . . . . 62.21 113.72 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.94 90.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 117.507 0.653 . . . . 52.11 111.637 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.04 -38.93 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.035 -0.984 . . . . 72.14 109.83 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -59.52 -40.47 87.23 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.572 0.749 . . . . 63.31 111.267 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' HG21 ' A' ' 89' ' ' ILE . 85.3 t -65.56 -50.65 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.737 0.815 . . . . 72.42 110.722 177.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -63.54 -33.29 75.27 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.481 0.712 . . . . 72.22 111.967 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -77.5 -44.53 28.47 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.595 0.758 . . . . 70.25 110.839 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.429 ' CD2' HG12 ' A' ' 89' ' ' ILE . 59.9 t80 -65.45 -50.24 66.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.348 0.659 . . . . 73.53 110.861 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.01 -35.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.606 0.763 . . . . 70.35 111.294 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.2 m -68.7 -48.31 64.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.636 0.374 . . . . 74.33 111.09 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.21 -36.74 80.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.531 0.567 . . . . 73.14 112.531 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.4 t -75.38 158.48 32.68 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.937 0.399 . . . . 73.03 110.525 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -121.44 5.51 10.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.101 0.96 . . . . 60.42 109.124 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.5 147.74 47.46 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.875 0.87 . . . . 73.33 110.125 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 51.8 mtt180 -118.12 143.18 32.36 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-N 114.78 -1.1 . . . . 63.0 109.049 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.498 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 23.8 Cg_exo -62.74 116.73 3.72 Favored 'Trans proline' 0 C--N 1.372 1.802 0 C-N-CA 122.162 1.908 . . . . 55.05 110.501 173.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.594 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 20.1 tpt180 -118.36 160.93 20.8 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.137 0.975 . . . . 74.42 108.856 -171.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.8 tp -57.07 94.88 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.678 0.791 . . . . 64.5 111.627 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.76 -33.12 6.38 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.403 -0.817 . . . . 65.34 111.869 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.594 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 54.9 tttm -89.74 106.41 18.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.7 0.8 . . . . 71.02 110.739 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 152.05 25.03 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.639 -0.504 . . . . 54.53 109.639 169.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.9 t -85.87 89.39 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 107.609 -1.256 . . . . 71.33 107.609 171.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -80.73 106.32 12.65 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.507 -0.769 . . . . 71.34 109.462 -174.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' VAL . 66.9 mt -92.32 109.3 37.1 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 124.563 1.145 . . . . 75.32 109.529 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.83 113.94 3.17 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 121.856 1.704 . . . . 74.02 110.214 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.513 ' HB2' HG23 ' A' ' 29' ' ' ILE . 79.0 mt -82.6 93.37 7.31 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.786 -0.82 . . . . 73.52 108.786 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -73.05 102.19 3.46 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.257 -1.016 . . . . 73.23 108.257 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 123.573 0.749 . . . . 73.14 109.989 177.821 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.243 0.731 0 N-CA-C 109.936 -0.394 . . . . 74.44 109.936 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.4 -26.41 71.75 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.421 0.451 . . . . 64.23 112.077 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.17 -53.44 30.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.406 1.083 . . . . 72.34 109.802 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -59.5 -43.53 93.33 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.921 0.889 . . . . 74.41 111.743 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 20' ' ' VAL . 32.0 tp -67.36 -42.37 83.58 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.998 0.811 . . . . 63.4 110.343 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HB2' HD13 ' A' ' 54' ' ' LEU . 42.8 ttt180 -58.6 -48.29 81.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.915 0.886 . . . . 75.41 110.342 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -67.54 -25.18 65.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.301 1.04 . . . . 73.12 111.812 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 tp -71.65 -42.45 67.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.885 0.474 . . . . 73.41 109.742 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 47.4 mt -69.37 -32.26 71.18 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.353 0.661 . . . . 70.41 110.939 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.4 -41.28 24.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.919 0.888 . . . . 73.53 111.431 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.6 -35.71 75.54 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.398 0.679 . . . . 75.45 110.86 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -83.08 -65.77 0.97 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.859 -0.61 . . . . 55.14 111.761 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.505 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.7 m-90 -104.81 -19.25 13.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.421 0.526 . . . . 75.02 112.421 -170.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 14.02 64.06 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 114.635 0.614 . . . . 72.33 114.635 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -141.58 151.31 43.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.245 0.618 . . . . 62.42 110.009 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 p -89.03 79.22 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.179 0.992 . . . . 71.44 110.649 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -77.15 151.74 35.17 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.368 0.507 . . . . 70.33 112.368 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.26 145.66 47.76 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.439 -0.949 . . . . 72.43 108.439 168.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.607 HG21 HD21 ' A' ' 6' ' ' LEU . 7.3 m -133.1 126.29 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.481 0.712 . . . . 72.52 109.143 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.13 140.33 51.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.247 0.619 . . . . 61.51 110.412 -175.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' HB3' HD11 ' A' ' 29' ' ' ILE . 68.4 m-85 -74.95 149.2 39.45 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.763 0.825 . . . . 74.42 110.538 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -142.02 113.36 7.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.273 0.629 . . . . 55.2 109.556 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -101.94 105.3 16.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.85 0.86 . . . . 61.31 110.012 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 t -143.82 136.06 26.76 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.446 0.698 . . . . 74.22 109.77 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 63.01 26.18 15.37 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.201 1.4 . . . . 75.12 111.683 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.31 88.97 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 115.657 -0.701 . . . . 74.22 113.289 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -99.99 169.33 9.27 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.259 1.024 . . . . 71.14 109.554 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.64 HG23 ' HB2' ' A' ' 91' ' ' LEU . 6.3 tp -130.87 131.3 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 115.35 -0.841 . . . . 55.14 109.245 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -127.95 127.19 42.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.591 1.156 . . . . 70.51 108.892 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.72 97.94 11.32 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.379 -0.971 . . . . 65.25 108.379 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -86.2 107.49 17.92 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.6 0.76 . . . . 71.11 110.168 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.427 HG22 HG12 ' A' ' 20' ' ' VAL . 28.8 t -77.47 112.79 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.16 -0.927 . . . . 72.44 109.073 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -67.58 155.37 39.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.423 1.089 . . . . 63.44 111.748 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.401 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 21.7 p90 -76.0 -17.1 59.83 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.034 1.333 . . . . 73.41 111.253 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.7 135.52 34.54 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.397 0.679 . . . . 75.23 110.111 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.87 156.6 45.8 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.4 1.08 . . . . 75.1 109.649 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.71 -21.36 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.012 0.925 . . . . 42.14 112.191 -171.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.99 -14.28 62.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.163 0.585 . . . . 72.12 112.107 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -81.3 131.75 35.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.82 0.848 . . . . 64.34 108.955 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.91 66.67 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.265 0.626 . . . . 34.21 111.271 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -93.39 19.67 8.04 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.059 0.943 . . . . 75.5 111.677 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -73.89 129.94 84.05 Favored Pre-proline 0 CA--C 1.558 1.271 0 N-CA-C 108.815 -0.809 . . . . 73.14 108.815 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.1 -34.74 68.41 Favored 'Trans proline' 0 C--N 1.385 2.46 0 C-N-CA 123.055 2.503 . . . . 73.22 113.733 -170.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.6 mtm -101.0 143.43 31.15 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.563 0.745 . . . . 74.51 109.689 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -77.39 174.42 10.84 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.944 -0.391 . . . . 74.44 109.944 172.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.39 -40.82 79.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.357 0.663 . . . . 74.23 112.457 -173.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.9 m -64.92 -51.59 61.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.345 0.658 . . . . 65.21 110.208 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.95 -39.57 92.57 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.167 0.987 . . . . 55.13 111.778 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.38 -40.37 81.4 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.144 0.902 . . . . 73.41 110.912 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -67.66 -41.54 83.62 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.092 -0.707 . . . . 73.02 109.092 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.94 -34.71 78.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.941 0.896 . . . . 62.41 110.732 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.54 -42.75 82.2 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.715 0.806 . . . . 64.21 110.006 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 7' ' ' ARG . 82.9 mt -59.86 -44.13 94.3 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.919 0.762 . . . . 73.32 110.302 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.74 -31.57 66.82 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.285 0.991 . . . . 70.12 110.752 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -70.58 -43.33 69.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.624 0.77 . . . . 73.21 110.738 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 20' ' ' VAL . 42.2 t -63.12 -50.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 C-N-CA 123.747 0.819 . . . . 54.32 109.886 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.64 -20.86 63.59 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.359 1.064 . . . . 75.02 111.948 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -67.1 -44.29 80.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.682 0.793 . . . . 73.24 109.708 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -70.73 -36.21 73.08 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.693 -0.685 . . . . 75.5 111.141 176.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -38.31 87.54 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.764 -0.458 . . . . 70.55 109.764 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.6 -54.13 32.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.486 0.714 . . . . 72.24 110.499 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.5 99.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.075 0.95 . . . . 61.55 112.13 -170.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 93' ' ' LEU . 79.3 mt -85.27 -22.96 28.38 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.551 0.74 . . . . 70.25 111.773 -175.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.48 13.67 61.12 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.879 -0.488 . . . . 44.33 111.879 -171.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.13 -9.62 86.88 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-O 119.361 -0.688 . . . . 73.23 113.527 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.7 95.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.732 0.813 . . . . 73.42 110.652 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.04 -36.94 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 O-C-N 124.337 1.023 . . . . 55.23 110.269 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.37 0.668 . . . . 73.55 111.338 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 66' ' ' GLY . 90.2 t -66.03 -48.86 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.561 0.744 . . . . 75.12 110.217 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -58.29 -52.64 64.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.003 0.921 . . . . 60.31 111.584 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.1 m -61.42 -44.1 97.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.904 0.882 . . . . 35.01 111.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -66.5 -49.5 66.35 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.576 0.548 . . . . 74.31 110.415 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.84 -30.33 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.082 0.953 . . . . 74.14 111.143 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.2 m -67.42 -45.35 76.38 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 109.861 -0.422 . . . . 62.33 109.861 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.57 -63.72 1.02 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.042 0.537 . . . . 73.52 111.581 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 t -68.23 135.31 51.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.109 0.564 . . . . 64.22 110.197 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -114.47 19.84 15.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.994 0.918 . . . . 72.4 109.563 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.22 134.15 42.7 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.88 -1.055 . . . . 73.22 109.99 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.505 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 74.9 mtt-85 -101.35 141.19 22.11 Favored Pre-proline 0 C--O 1.241 0.634 0 CA-C-N 115.232 -0.894 . . . . 73.31 109.964 -177.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 47.1 Cg_exo -55.55 117.95 4.64 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.825 2.35 . . . . 72.45 111.368 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -112.01 152.69 27.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 74.04 109.793 -168.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.69 116.0 3.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.914 0.486 . . . . 75.33 110.136 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 -33.0 5.43 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.93 -0.577 . . . . 61.01 112.698 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.63 113.89 26.25 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.64 0.776 . . . . 75.23 111.348 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.23 152.7 22.09 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 65.15 110.922 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.1 t -81.42 91.57 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.49 -0.929 . . . . 71.44 108.49 172.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -78.09 103.11 7.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.219 -0.9 . . . . 74.22 109.19 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.405 HG21 ' HA ' ' A' ' 70' ' ' VAL . 71.7 mt -88.19 107.78 18.22 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.051 0.94 . . . . 75.02 109.984 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.06 113.37 3.4 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.093 1.862 . . . . 63.33 110.476 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.64 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.0 mt -87.15 99.93 12.29 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.227 -1.027 . . . . 64.35 108.227 177.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.85 86.92 2.83 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.561 -0.745 . . . . 74.22 109.35 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 64' ' ' LEU . 62.3 mt . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 123.773 0.829 . . . . 73.35 109.002 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 109.425 -0.583 . . . . 71.2 109.425 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.75 -21.08 62.65 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 120.034 -0.315 . . . . 71.32 112.449 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.1 -55.91 10.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.354 1.061 . . . . 75.2 110.088 172.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.72 -40.66 97.9 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.483 1.115 . . . . 70.24 111.351 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.526 HD21 HG21 ' A' ' 20' ' ' VAL . 32.0 tp -67.89 -43.38 79.43 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.08 0.863 . . . . 60.1 110.816 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -58.75 -52.49 65.46 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.301 0.64 . . . . 72.54 110.332 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.65 -19.68 63.61 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 114.594 -1.184 . . . . 71.5 112.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 71' ' ' LYS . 24.2 tp -73.33 -24.0 60.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.356 0.525 . . . . 61.5 110.458 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.8 mt -90.45 -35.43 15.14 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.857 0.863 . . . . 74.23 109.988 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.87 -61.03 2.02 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.758 0.823 . . . . 60.3 111.307 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -45.46 -43.68 11.68 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.237 1.015 . . . . 71.52 112.376 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -75.97 -63.12 1.38 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.95 0.9 . . . . 64.3 112.229 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.606 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 6.6 m0 -107.44 -23.09 12.32 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 112.661 0.615 . . . . 75.05 112.661 -167.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.89 -3.68 57.35 Favored Glycine 0 N--CA 1.473 1.149 0 N-CA-C 114.105 0.402 . . . . 43.33 114.105 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -127.17 149.07 50.14 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.019 0.527 . . . . 65.42 110.537 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -85.97 67.33 9.97 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.392 1.077 . . . . 63.42 110.35 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.54 152.31 45.5 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.264 -0.426 . . . . 74.13 111.177 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.84 136.38 33.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.692 -0.855 . . . . 74.21 108.692 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 HD21 ' A' ' 6' ' ' LEU . 30.4 m -105.52 139.62 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.699 -0.852 . . . . 64.42 108.699 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -132.7 136.44 46.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.673 0.389 . . . . 73.42 110.836 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.3 119.07 13.01 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.825 0.85 . . . . 75.3 110.192 174.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -103.41 104.24 14.31 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.123 0.969 . . . . 64.12 108.567 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -101.37 103.82 14.78 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.872 -1.158 . . . . 61.31 107.872 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -145.87 132.94 20.33 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.08 0.552 . . . . 53.05 110.889 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 60.07 33.71 21.27 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.042 1.337 . . . . 73.11 112.28 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.87 7.54 86.35 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.76 -0.655 . . . . 54.3 113.367 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -113.68 158.37 20.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.234 1.014 . . . . 62.32 109.866 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 tp -126.75 130.01 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.478 0.711 . . . . 55.1 110.215 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.69 125.26 29.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 74.1 107.908 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -89.07 97.81 11.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.053 -1.091 . . . . 71.15 108.053 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -86.52 106.71 17.71 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.214 -0.448 . . . . 71.4 109.875 -176.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 HG12 ' A' ' 20' ' ' VAL . 37.0 t -66.81 104.92 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.801 0 N-CA-C 107.895 -1.15 . . . . 52.5 107.895 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mmm -69.5 161.3 29.78 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.481 0.658 . . . . 73.24 111.462 -174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -78.69 4.7 12.95 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.504 -1.226 . . . . 74.21 113.022 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -110.96 150.49 29.16 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.211 1.004 . . . . 71.35 109.32 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' HB2' ' A' ' 39' ' ' GLU . 6.7 p90 -137.29 162.25 34.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.244 0.617 . . . . 72.05 110.394 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 50' ' ' TYR . 42.5 tp -67.83 -21.62 65.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.618 0.767 . . . . 63.12 111.459 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 5.6 mm-40 -64.68 -18.6 65.13 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.236 0.615 . . . . 55.02 111.164 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -70.06 126.41 29.6 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.159 0.584 . . . . 65.25 109.926 171.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.36 -23.93 61.99 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.942 0.497 . . . . 65.31 110.467 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -79.0 2.66 19.67 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.131 0.972 . . . . 62.53 111.983 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.76 119.5 74.58 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.518 0.727 . . . . 62.31 109.259 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.93 0.71 9.77 Favored 'Trans proline' 0 C--N 1.384 2.408 0 C-N-CA 122.923 2.415 . . . . 73.14 113.502 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtp -106.74 135.66 47.9 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.21 1.004 . . . . 70.22 108.894 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.8 m-20 -70.1 171.67 9.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.984 0.513 . . . . 45.42 110.163 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.1 -40.02 96.41 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.112 0.565 . . . . 71.43 110.843 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -63.76 -44.81 92.34 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 123.708 0.63 . . . . 72.42 109.779 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.9 mm-40 -60.98 -39.07 88.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.361 0.665 . . . . 64.41 111.007 -178.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 53.3 t80 -63.22 -49.86 72.53 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.254 0.971 . . . . 74.21 110.789 177.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.81 -39.34 83.99 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.602 0.564 . . . . 71.43 111.279 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -73.57 -24.3 60.07 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.143 0.577 . . . . 75.4 111.042 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 57' ' ' VAL . 61.1 t60 -67.51 -46.69 72.16 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.549 -0.908 . . . . 72.21 108.549 173.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 82.8 mt -64.46 -37.05 86.18 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.999 0.812 . . . . 70.44 111.256 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.08 -40.47 78.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 123.769 0.668 . . . . 74.13 109.531 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 t -71.08 -37.23 72.45 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.375 -0.829 . . . . 74.12 111.127 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 41.0 t -63.59 -51.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 C-N-CA 123.31 0.644 . . . . 62.01 109.354 175.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.03 -28.33 69.51 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.247 1.019 . . . . 65.12 111.967 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.44 -47.56 69.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.645 0.778 . . . . 53.53 109.699 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.49 -40.03 96.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.08 0.552 . . . . 72.24 110.964 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 96.2 mt -62.96 -32.85 74.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.332 0.653 . . . . 74.13 110.82 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -71.85 -41.61 67.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.607 0.763 . . . . 75.03 110.773 173.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.54 74.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.589 0.756 . . . . 65.32 111.818 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.43 -24.94 17.12 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.703 0.801 . . . . 53.33 111.21 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.92 20.48 50.03 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 116.143 -0.48 . . . . 53.02 112.735 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -94.84 3.01 67.19 Favored Glycine 0 C--N 1.347 1.161 0 CA-C-O 119.553 -0.582 . . . . 43.43 113.547 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.59 43.79 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 117.407 0.604 . . . . 61.32 111.697 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -65.61 -28.3 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-N 115.726 -0.67 . . . . 71.34 109.959 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -62.99 -44.95 94.62 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.237 0.615 . . . . 64.24 111.12 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.579 ' HA ' HG21 ' A' ' 89' ' ' ILE . 94.4 t -63.71 -49.89 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.568 0.747 . . . . 71.41 110.731 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' HD21 ' A' ' 9' ' ' LEU . 49.5 mtpt -62.53 -45.69 91.81 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 123.763 0.664 . . . . 71.12 111.522 -176.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.5 m -64.43 -44.67 90.44 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.877 0.736 . . . . 74.13 110.877 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -61.93 -47.43 84.92 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.574 0.546 . . . . 74.43 110.543 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -67.01 -29.22 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.684 0.794 . . . . 54.51 111.229 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.5 m -67.63 -39.04 84.66 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.671 0.272 . . . . 73.11 110.53 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -77.98 -63.22 1.44 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 64.24 111.167 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 t -62.35 137.34 58.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.337 0.655 . . . . 74.03 110.267 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -113.14 14.5 19.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.488 0.715 . . . . 70.04 109.835 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.48 149.1 40.47 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.483 1.113 . . . . 73.11 110.18 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.606 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 83.7 mtt180 -116.28 145.51 35.22 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 123.7 0.8 . . . . 75.41 111.449 -177.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.01 122.26 9.13 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.176 2.584 . . . . 74.03 110.959 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -139.18 148.61 43.39 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.993 -1.114 . . . . 65.14 107.993 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.3 tp -47.19 118.42 2.13 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 124.077 0.951 . . . . 64.41 113.308 -168.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.69 -13.34 67.7 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.303 0.478 . . . . 71.32 113.928 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -126.31 104.72 8.35 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.234 1.413 . . . . 72.41 110.436 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.99 143.28 28.0 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.488 0.715 . . . . 71.42 110.872 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.82 90.87 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.574 -0.899 . . . . 61.11 108.574 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.8 t -79.29 107.89 12.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.079 -0.964 . . . . 74.23 109.601 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.579 HG21 ' HA ' ' A' ' 70' ' ' VAL . 73.9 mt -90.31 107.48 20.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.56 0.744 . . . . 65.2 110.127 -177.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.82 115.0 3.54 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.457 2.105 . . . . 72.23 110.68 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.22 107.33 18.44 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.996 -0.742 . . . . 71.23 108.996 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 95.78 1.66 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.162 -1.051 . . . . 72.52 108.162 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 108.23 -1.026 . . . . 63.32 108.23 168.287 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 109.0 -0.741 . . . . 75.24 109.0 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.53 -27.59 71.12 Favored Glycine 0 C--N 1.345 1.036 0 C-N-CA 121.713 -0.279 . . . . 64.04 112.631 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 35.2 tt0 -64.07 -51.66 63.0 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.543 0.737 . . . . 75.43 109.842 171.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -65.06 -33.54 76.28 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.592 0.757 . . . . 62.32 112.011 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.476 HD21 HG21 ' A' ' 20' ' ' VAL . 59.7 tp -64.18 -42.26 96.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 109.615 -0.513 . . . . 61.1 109.615 174.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' HB2' HD13 ' A' ' 54' ' ' LEU . 72.2 ttt180 -65.55 -40.57 93.01 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.241 0.616 . . . . 74.32 110.724 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 14.8 mm100 -64.48 -34.42 78.17 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.018 0.527 . . . . 62.23 110.221 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.86 -34.03 77.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.026 0.93 . . . . 74.33 110.49 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.1 mt -77.91 -34.89 51.19 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.848 0.859 . . . . 54.1 110.066 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -27.35 60.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.124 0.97 . . . . 63.24 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.8 -39.95 25.84 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.909 0.484 . . . . 75.33 110.5 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -77.88 -55.24 5.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.853 -0.612 . . . . 73.54 111.474 -173.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -114.06 -15.75 12.23 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 74.14 112.035 -171.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.73 18.57 75.11 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 123.368 0.418 . . . . 70.33 113.33 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.61 142.93 29.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.97 0.908 . . . . 71.54 109.105 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -88.94 102.13 14.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.658 0.783 . . . . 64.41 109.834 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.52 148.08 23.61 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.622 0.769 . . . . 71.24 111.511 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -61.71 146.25 49.82 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.287 -0.869 . . . . 70.54 109.224 165.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG23 HG21 ' A' ' 57' ' ' VAL . 15.3 m -138.7 127.32 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 108.741 -0.837 . . . . 61.32 108.741 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -119.1 149.68 41.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.118 0.567 . . . . 75.24 110.934 -175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' HB3' HD11 ' A' ' 29' ' ' ILE . 56.5 m-85 -91.78 148.48 22.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 74.51 110.379 171.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -141.38 128.51 20.87 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.204 -0.665 . . . . 73.1 109.204 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -111.46 101.5 9.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.818 0.847 . . . . 73.41 109.499 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -145.44 141.28 28.24 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.28 0.632 . . . . 73.22 109.979 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 68.36 21.1 8.45 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.956 1.303 . . . . 73.33 110.811 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.29 -3.43 84.69 Favored Glycine 0 C--N 1.36 1.899 0 CA-C-N 115.728 -0.669 . . . . 54.43 113.345 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -103.2 160.91 14.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.154 0.982 . . . . 72.45 111.183 -172.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.577 HD11 ' HB3' ' A' ' 22' ' ' PHE . 8.9 tp -119.03 129.73 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.946 0.898 . . . . 71.34 109.455 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -125.49 121.77 34.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.31 1.044 . . . . 72.24 109.447 -175.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.3 tp -91.17 96.63 10.68 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.73 -0.841 . . . . 64.44 108.73 170.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -88.38 107.56 18.91 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.837 0.855 . . . . 74.22 110.401 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 58.3 t -68.44 115.5 6.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.518 0.727 . . . . 72.35 109.372 174.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.2 mmt -77.16 150.92 35.49 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.276 1.03 . . . . 71.33 111.806 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 20.0 p90 -67.15 -21.07 65.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.562 1.545 . . . . 55.31 111.597 172.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.3 116.31 10.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.396 0.678 . . . . 63.23 110.176 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -106.37 157.13 17.84 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.961 0.905 . . . . 73.22 108.838 169.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.29 -25.65 65.9 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.125 0.891 . . . . 63.33 112.857 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -77.95 13.71 1.32 Allowed 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.063 0.764 . . . . 75.2 113.063 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -103.23 142.05 34.84 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.591 0.756 . . . . 74.4 110.231 168.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -16.22 59.57 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.986 0.915 . . . . 63.22 110.87 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 m -83.59 0.84 45.0 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.858 0.863 . . . . 72.02 112.102 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -62.93 130.79 94.3 Favored Pre-proline 0 CA--C 1.559 1.319 0 C-N-CA 123.508 0.723 . . . . 71.32 110.429 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.59 -11.28 30.72 Favored 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 123.279 2.653 . . . . 61.31 113.755 -169.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.472 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 57.8 mtm -126.35 166.51 17.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.168 0.987 . . . . 75.23 110.062 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.534 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 90.9 m-20 -79.6 176.3 9.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.336 -0.847 . . . . 73.43 109.411 168.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.28 -40.59 86.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.371 0.668 . . . . 60.4 111.626 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -63.4 -50.75 68.62 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.537 -0.756 . . . . 70.25 109.702 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.5 mm-40 -65.36 -28.02 68.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.582 0.753 . . . . 70.01 111.667 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.427 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 21.4 t80 -68.57 -49.29 60.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.498 0.719 . . . . 72.53 110.446 174.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -70.7 -30.57 67.17 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.163 -0.471 . . . . 75.41 109.963 -175.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.2 -39.44 78.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.433 0.693 . . . . 71.34 110.653 171.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -62.84 -34.16 76.75 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.013 0.925 . . . . 75.34 111.051 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 7' ' ' ARG . 97.6 mt -69.93 -39.35 76.18 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.364 0.666 . . . . 64.25 110.536 178.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.26 -30.36 63.4 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.482 -0.781 . . . . 74.11 109.994 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -64.39 -44.16 92.18 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.437 1.095 . . . . 71.34 110.635 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 20' ' ' VAL . 40.4 t -67.8 -46.93 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 115.531 -0.759 . . . . 73.41 110.58 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -26.19 68.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.97 0.908 . . . . 72.14 111.655 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -65.25 -45.65 83.72 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.104 0.961 . . . . 73.41 110.091 173.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -68.25 -31.98 71.84 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.066 -0.516 . . . . 71.0 111.575 174.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 73.0 mt -67.18 -30.3 70.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 122.672 0.389 . . . . 63.14 111.014 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -79.51 -42.24 25.65 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.393 0.277 . . . . 74.03 110.404 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.6 95.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.874 0.87 . . . . 43.35 111.867 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -87.1 -21.78 25.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.972 -1.013 . . . . 73.0 111.124 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.7 16.13 73.87 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.827 -0.509 . . . . 72.13 111.827 -169.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.73 -3.44 89.08 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 119.118 -0.823 . . . . 61.41 114.016 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.15 87.66 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 117.573 0.686 . . . . 64.13 111.136 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.79 -33.17 61.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 114.907 -1.042 . . . . 50.33 110.046 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -70.05 -35.13 74.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.248 0.619 . . . . 73.43 111.137 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.539 ' HA ' HG21 ' A' ' 89' ' ' ILE . 77.8 t -68.72 -47.96 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.457 0.703 . . . . 72.2 110.245 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.2 -44.6 97.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.659 0.784 . . . . 74.31 111.602 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.5 m -69.22 -41.82 76.54 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.345 0.658 . . . . 62.24 111.195 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.39 -50.52 67.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.162 -0.472 . . . . 73.42 109.851 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.438 ' HA ' HG22 ' A' ' 77' ' ' THR . 12.4 mt -63.24 -35.45 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.909 0.884 . . . . 74.24 111.673 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.8 m -60.96 -53.45 57.06 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.168 0.508 . . . . 52.02 110.748 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.53 -32.3 42.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.279 -0.873 . . . . 65.5 112.52 -170.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 74' ' ' ILE . 9.3 t -70.44 145.71 50.82 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.813 -0.439 . . . . 73.3 109.813 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -108.92 0.18 20.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.807 0.843 . . . . 74.1 109.623 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.46 152.4 36.17 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.776 0.83 . . . . 60.52 112.667 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 97.2 mtt180 -123.0 148.94 55.6 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-N 114.184 -1.371 . . . . 71.21 109.583 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.419 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 37.1 Cg_endo -64.37 122.73 10.76 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.611 2.207 . . . . 71.33 110.332 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.477 HH11 ' HD3' ' A' ' 85' ' ' LYS . 43.3 ttm180 -128.16 146.65 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.421 -1.263 . . . . 75.24 107.789 -166.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.98 89.57 0.08 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.566 0.746 . . . . 75.41 110.497 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.32 -19.86 9.81 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 115.681 -0.69 . . . . 74.22 112.822 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.477 ' HD3' HH11 ' A' ' 82' ' ' ARG . 65.3 tttm -122.59 102.45 8.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.486 0.714 . . . . 55.31 110.033 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.88 147.02 29.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.86 0.864 . . . . 52.23 110.387 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 59.5 t -77.74 89.59 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.021 -1.103 . . . . 53.41 108.021 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -77.49 111.93 13.73 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.917 -0.772 . . . . 61.43 108.917 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.539 HG21 ' HA ' ' A' ' 70' ' ' VAL . 50.9 mt -101.83 100.28 14.21 Favored Pre-proline 0 CA--C 1.547 0.834 0 N-CA-C 108.746 -0.835 . . . . 44.12 108.746 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.98 113.26 3.35 Favored 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 122.013 1.809 . . . . 71.22 110.028 176.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.528 ' HB2' HG23 ' A' ' 29' ' ' ILE . 42.1 mt -77.84 95.3 4.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.398 -1.334 . . . . 62.43 107.398 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.45 102.15 0.39 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.045 -0.724 . . . . 75.54 109.045 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.7 mt . . . . . 0 N--CA 1.472 0.647 0 C-N-CA 124.285 1.034 . . . . 63.12 108.297 175.062 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.244 0.785 0 N-CA-C 109.215 -0.661 . . . . 73.32 109.215 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.87 64.74 Favored Glycine 0 C--N 1.345 1.032 0 O-C-N 123.485 0.491 . . . . 54.43 112.663 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.51 -57.02 14.52 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.019 0.928 . . . . 65.32 109.772 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.67 -37.9 87.8 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.817 0.847 . . . . 72.24 111.793 -175.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 20' ' ' VAL . 41.8 tp -65.78 -43.61 88.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.129 0.572 . . . . 74.42 110.438 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -61.82 -48.14 81.91 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 71.32 110.308 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.95 -20.67 65.93 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 114.927 -1.033 . . . . 75.21 111.726 -176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -72.67 -41.27 65.58 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.464 0.706 . . . . 64.42 110.251 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.88 -31.29 66.28 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.106 -0.952 . . . . 71.43 110.1 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.7 mt -78.4 -32.78 48.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.113 0.965 . . . . 62.53 111.413 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.39 -43.65 85.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.711 0.804 . . . . 71.05 110.189 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -89.09 -61.57 1.67 Allowed 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.14 -0.937 . . . . 70.44 110.93 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.2 m0 -98.51 -29.06 13.31 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.067 -0.515 . . . . 72.33 112.068 -170.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.46 19.69 61.66 Favored Glycine 0 N--CA 1.473 1.155 0 O-C-N 123.195 0.309 . . . . 52.11 113.762 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.22 139.13 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.578 -0.897 . . . . 73.54 108.578 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -84.74 74.81 10.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.662 -0.496 . . . . 70.43 109.662 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -71.08 155.19 41.08 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.767 0.427 . . . . 74.52 110.819 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -98.58 144.4 27.93 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.485 -0.561 . . . . 75.31 109.485 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 HG21 ' A' ' 57' ' ' VAL . 29.4 m -121.11 151.34 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.436 0.694 . . . . 42.21 110.098 -174.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -142.07 141.78 32.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.799 0.44 . . . . 63.54 111.465 -176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' ' HA ' ' A' ' 57' ' ' VAL . 72.8 m-85 -81.52 130.22 34.97 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.92 0.488 . . . . 75.13 110.153 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -124.96 129.82 51.11 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.783 -0.821 . . . . 61.0 108.783 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -113.75 106.93 15.08 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.552 0.741 . . . . 74.12 109.212 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -144.72 138.54 27.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.87 0.868 . . . . 73.34 109.318 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 64.6 20.76 12.25 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.868 1.267 . . . . 75.42 112.756 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.37 9.33 85.88 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 116.927 -0.124 . . . . 64.22 113.08 -174.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -103.51 168.54 9.09 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.242 1.017 . . . . 51.55 109.451 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.6 tp -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-O 121.562 0.696 . . . . 65.04 109.699 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -128.04 121.15 29.0 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.252 1.021 . . . . 73.45 109.38 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -90.45 98.02 11.53 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.118 -1.067 . . . . 61.23 108.118 173.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -85.01 109.79 18.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.4 0.68 . . . . 63.43 110.323 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 21.6 t -73.52 109.26 5.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.531 -0.915 . . . . 75.02 108.531 169.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.7 mmt -66.08 155.93 35.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.71 0.804 . . . . 75.11 111.206 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.434 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 29.4 p90 -77.53 -7.14 55.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.313 1.045 . . . . 70.55 111.354 176.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -90.37 139.81 30.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.385 0.674 . . . . 60.04 109.986 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -131.67 155.83 46.92 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.508 1.123 . . . . 74.24 109.5 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.68 -25.78 65.02 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.987 0.915 . . . . 52.25 113.226 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.46 -15.98 63.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 122.923 0.489 . . . . 54.21 112.016 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.94 144.98 54.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.424 0.689 . . . . 35.03 111.24 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.13 -16.88 39.01 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.31 1.044 . . . . 73.51 110.68 174.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -94.36 5.36 52.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.158 0.983 . . . . 72.52 111.393 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.54 123.71 85.27 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 123.342 0.657 . . . . 73.21 110.23 -175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -76.18 5.21 4.72 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 123.114 2.543 . . . . 72.22 115.013 -166.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtm -129.42 152.03 49.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.673 0.789 . . . . 71.34 109.524 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 80.6 m-20 -71.82 166.17 22.59 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.839 -0.8 . . . . 73.4 108.839 168.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.836 0.454 . . . . 64.21 111.034 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.0 m -63.48 -46.52 85.78 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.192 0.597 . . . . 75.2 110.377 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 26.3 mm-40 -63.05 -38.89 93.0 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.156 0.582 . . . . 72.02 110.986 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 27.0 t80 -62.53 -50.81 69.88 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.823 -1.081 . . . . 72.21 110.942 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -69.61 -37.89 77.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.943 0.897 . . . . 62.42 111.245 -173.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -69.85 -31.02 68.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.29 0.636 . . . . 62.22 111.165 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.63 -37.92 80.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.388 -0.369 . . . . 74.44 110.275 175.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 83.5 mt -63.22 -41.51 99.14 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.538 0.524 . . . . 74.5 110.718 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.08 -31.96 64.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.467 -0.788 . . . . 73.01 110.568 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 t -68.53 -37.3 79.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.798 0.839 . . . . 72.52 110.931 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 20' ' ' VAL . 38.2 t -66.65 -49.17 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.657 -0.702 . . . . 75.44 109.589 174.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.43 69.29 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.419 1.088 . . . . 73.32 111.803 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -68.63 -42.19 78.38 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.882 0.873 . . . . 74.21 109.871 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.64 -36.48 78.66 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.626 0.37 . . . . 70.13 111.361 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.15 -21.79 66.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.275 0.63 . . . . 62.3 111.704 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -75.9 -54.18 7.28 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.132 0.973 . . . . 74.32 110.077 173.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.49 70.36 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.731 0.812 . . . . 35.22 111.644 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' A' ' 93' ' ' LEU . 85.4 mt -70.55 -29.11 65.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.209 1.004 . . . . 73.43 111.308 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.44 32.24 31.54 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.805 -0.634 . . . . 60.32 112.693 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -101.73 1.27 52.44 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 119.181 -0.788 . . . . 31.41 113.882 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.94 86.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.578 0.689 . . . . 74.21 112.305 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.11 -36.51 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.281 -0.872 . . . . 62.1 110.005 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 13.5 mm-40 -64.36 -38.67 91.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.433 0.693 . . . . 61.4 111.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 66' ' ' GLY . 98.1 t -68.35 -47.92 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.673 0.789 . . . . 52.12 110.256 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.7 -36.33 83.51 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.198 -0.91 . . . . 72.14 111.543 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -69.52 -47.91 62.21 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.29 0.636 . . . . 74.13 110.143 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.9 -58.18 7.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.923 0.489 . . . . 71.03 110.884 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.13 -47.66 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.872 0.869 . . . . 60.12 111.635 -173.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.7 m -64.73 -30.63 71.65 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.71 0.404 . . . . 74.12 111.675 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -99.82 -12.7 19.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.408 0.892 . . . . 72.03 113.408 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -87.81 146.1 25.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.679 0.672 . . . . 71.43 110.789 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -105.52 7.09 32.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.465 0.706 . . . . 75.2 110.221 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.29 142.26 37.91 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.537 0.735 . . . . 74.11 110.177 174.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 52.2 mtt180 -119.26 147.08 42.24 Favored Pre-proline 0 N--CA 1.472 0.645 0 C-N-CA 123.681 0.792 . . . . 73.55 109.873 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.434 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 24.1 Cg_exo -63.38 120.08 7.39 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.311 2.008 . . . . 71.13 110.934 171.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -126.72 159.35 33.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.625 0.77 . . . . 74.21 109.435 -175.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.8 tp -56.65 110.16 0.74 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.641 0.776 . . . . 54.33 111.61 -174.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.26 -30.06 10.65 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 123.58 0.55 . . . . 74.45 112.636 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -109.09 105.21 14.59 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.803 0.841 . . . . 73.13 110.873 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.02 150.64 24.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.591 0.756 . . . . 71.34 110.448 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 84.1 t -80.09 89.75 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 N-CA-C 108.635 -0.876 . . . . 70.24 108.635 173.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.7 t -76.86 98.8 4.98 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.199 1.0 . . . . 65.25 109.066 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.9 mt -82.33 108.49 11.96 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.866 0.866 . . . . 40.04 109.264 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.57 114.44 3.7 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.731 1.621 . . . . 75.22 111.053 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.0 mt -86.46 104.86 16.33 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 109.427 -0.583 . . . . 75.31 109.427 -178.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 15.8 t70 -75.7 97.62 3.87 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.226 -0.657 . . . . 72.41 109.226 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 64' ' ' LEU . 47.7 mt . . . . . 0 N--CA 1.474 0.727 0 C-N-CA 123.333 0.653 . . . . 74.31 110.066 -174.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.151 -0.315 . . . . 61.43 110.151 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.98 -22.77 78.68 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.079 0.237 . . . . 60.54 112.91 172.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -62.01 -52.93 61.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.588 0.755 . . . . 70.32 109.225 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.399 -0.818 . . . . 71.03 112.153 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.468 HD21 HG21 ' A' ' 20' ' ' VAL . 55.5 tp -69.27 -42.43 75.55 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.215 0.606 . . . . 75.31 109.623 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.435 ' HB2' HD13 ' A' ' 54' ' ' LEU . 79.7 ttt180 -67.05 -43.45 82.68 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.926 -0.579 . . . . 62.31 110.917 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.4 -33.41 72.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.005 0.522 . . . . 75.55 110.425 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.78 -28.3 68.28 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.877 0.471 . . . . 70.43 111.125 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -85.11 -31.17 23.48 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.082 0.553 . . . . 64.33 110.811 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.91 -44.25 18.57 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.675 0.79 . . . . 45.12 111.874 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.29 -36.65 80.65 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.008 0.523 . . . . 71.42 111.063 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -75.17 -65.73 0.85 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.172 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -101.95 -39.03 7.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.33 -0.85 . . . . 74.02 111.381 -172.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.76 6.48 46.41 Favored Glycine 0 N--CA 1.477 1.379 0 CA-C-N 116.619 -0.264 . . . . 73.34 112.815 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.95 138.08 41.97 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.027 0.931 . . . . 71.42 109.509 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -90.27 93.79 9.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 74.31 109.548 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 62.3 m-85 -81.48 145.46 30.72 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.295 0.638 . . . . 75.23 110.439 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.7 p-10 -70.65 118.89 14.01 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.333 -0.617 . . . . 73.52 109.333 176.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 6' ' ' LEU . 15.4 m -103.42 126.9 57.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.627 0.727 . . . . 60.11 109.688 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -122.63 -178.14 3.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.989 1.316 . . . . 71.12 109.884 -172.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' A' ' 29' ' ' ILE . 63.8 m-85 -121.5 142.23 50.26 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.212 0.529 . . . . 64.52 111.614 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.617 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 34.5 ttm180 -119.95 129.4 54.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.889 1.276 . . . . 74.04 108.302 172.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -119.75 98.99 6.37 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.31 -0.996 . . . . 61.24 108.31 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 t -141.0 135.32 31.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.971 0.508 . . . . 75.21 110.148 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 63.1 30.21 16.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.536 1.135 . . . . 72.44 111.306 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.05 6.82 69.31 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.721 -0.672 . . . . 62.3 113.776 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -104.9 155.92 18.49 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.909 0.884 . . . . 73.03 110.222 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -115.23 142.08 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.458 0.703 . . . . 74.3 109.29 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 73.8 m-85 -135.87 135.47 39.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.343 1.057 . . . . 73.21 108.701 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 39.3 tp -93.25 107.18 19.04 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.171 0.441 . . . . 62.01 109.928 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -87.55 98.22 11.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.792 0.837 . . . . 75.1 112.097 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.606 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -73.13 103.85 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 108.353 -0.98 . . . . 73.33 108.353 169.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.51 167.31 19.95 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.059 0.544 . . . . 74.43 111.112 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -78.96 -18.2 54.15 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.76 0.824 . . . . 71.45 111.827 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -85.31 146.22 27.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.965 0.506 . . . . 61.24 109.661 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 18' ' ' TYR . 11.7 p90 -138.3 159.44 42.04 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.191 0.996 . . . . 63.31 109.409 -177.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.539 HD21 ' HG3' ' A' ' 47' ' ' GLU . 59.4 tp -57.85 -25.25 60.45 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.061 0.945 . . . . 64.23 112.818 -172.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.09 29.5 0.34 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.201 0.6 . . . . 74.54 112.321 -174.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -100.3 155.37 17.82 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.237 1.015 . . . . 54.2 109.527 168.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -38.83 53.15 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.525 0.73 . . . . 63.14 110.947 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -111.93 76.03 0.95 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.661 0.785 . . . . 74.44 109.179 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 31.1 t80 -93.99 135.09 25.08 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 108.92 -0.77 . . . . 64.42 108.92 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 43' ' ' PHE . 8.8 Cg_endo -47.12 -34.23 17.0 Favored 'Trans proline' 0 C--N 1.385 2.497 0 C-N-CA 124.504 3.47 . . . . 72.25 114.936 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -116.21 152.28 34.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 52.41 109.82 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -74.43 165.14 25.7 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.069 -0.345 . . . . 63.23 110.069 170.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HG3' HD21 ' A' ' 38' ' ' LEU . 38.4 tt0 -57.24 -50.01 74.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.823 0.849 . . . . 74.53 112.767 -174.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -66.46 -40.43 89.38 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.456 0.472 . . . . 74.04 110.669 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.6 -42.58 95.48 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.428 -0.805 . . . . 72.4 110.49 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' HE1' ' HA ' ' A' ' 19' ' ' ASP . 43.1 t80 -66.51 -43.82 84.23 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.49 -1.232 . . . . 74.34 111.326 -178.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -64.01 -42.77 97.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.144 0.578 . . . . 72.55 110.981 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.81 -23.67 58.52 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.339 -0.846 . . . . 65.21 110.833 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -74.36 -32.69 62.87 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.867 0.467 . . . . 61.42 110.325 173.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 7' ' ' ARG . 85.9 mt -64.1 -36.99 85.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.882 0.473 . . . . 65.21 110.026 173.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.58 -30.57 65.98 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.118 -0.946 . . . . 75.2 110.675 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -68.85 -43.98 74.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.493 0.717 . . . . 54.02 110.479 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 HG23 ' A' ' 20' ' ' VAL . 52.9 t -64.53 -45.72 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.419 0.688 . . . . 73.33 110.29 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -67.7 -27.5 66.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 72.25 111.403 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -67.32 -41.08 85.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.479 -0.782 . . . . 73.23 110.219 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.734 0.413 . . . . 74.21 111.372 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 89.8 mt -61.49 -38.38 87.09 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.812 -0.631 . . . . 54.13 110.397 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -75.52 -37.63 59.96 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.965 0.506 . . . . 71.53 110.695 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.37 68.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.622 0.769 . . . . 74.51 112.168 -174.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.1 mt -98.6 -26.09 14.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.734 0.813 . . . . 75.13 110.391 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 3.47 56.99 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.837 -0.62 . . . . 74.13 113.182 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -82.17 5.77 70.52 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 119.189 -0.784 . . . . 60.13 114.463 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.86 71.08 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 117.667 0.733 . . . . 61.25 111.977 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.82 -34.83 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 115.785 -0.643 . . . . 61.04 110.409 175.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.88 -36.77 85.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.24 0.616 . . . . 71.21 111.365 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HG21 ' A' ' 89' ' ' ILE . 90.4 t -67.59 -51.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.294 0.638 . . . . 51.41 110.69 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.47 -48.15 82.77 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.883 -1.053 . . . . 55.43 111.378 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.1 m -63.97 -44.54 92.41 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.745 0.818 . . . . 74.33 111.428 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.41 -49.99 71.58 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.57 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.65 -31.82 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.34 0.656 . . . . 74.53 111.469 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.23 -36.64 82.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.868 0.467 . . . . 52.22 111.408 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -84.59 -57.69 3.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.168 0.587 . . . . 62.13 111.889 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.7 t -58.03 151.7 18.07 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.937 0.895 . . . . 75.44 111.785 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -129.3 20.25 5.77 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.889 0.876 . . . . 62.4 109.127 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.48 143.86 36.27 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.782 0.833 . . . . 74.11 110.777 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -114.52 136.69 22.41 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.961 0.904 . . . . 73.14 110.813 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.01 125.4 15.8 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.229 2.619 . . . . 60.45 113.308 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HB3' ' HB2' ' A' ' 85' ' ' LYS . 70.4 ttt180 -127.73 158.21 38.26 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.309 1.444 . . . . 75.13 108.887 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.53 104.84 0.37 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.66 0.664 . . . . 72.34 109.617 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.39 -33.59 5.6 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 111.749 -0.54 . . . . 71.42 111.749 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 5.9 mptp? -103.57 112.06 24.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.581 0.752 . . . . 73.45 110.183 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.4 38.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.517 0.727 . . . . 72.21 109.188 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.606 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 40.3 t -80.2 89.36 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 108.414 -0.958 . . . . 53.31 108.414 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 t -77.48 102.68 7.01 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.083 -1.08 . . . . 60.0 108.083 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.558 HG21 ' HA ' ' A' ' 70' ' ' VAL . 71.8 mt -82.89 110.4 22.74 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 124.071 0.948 . . . . 73.5 109.165 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.3 113.08 3.68 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 121.789 1.659 . . . . 72.15 111.469 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.402 HD12 HG23 ' A' ' 29' ' ' ILE . 26.1 mt -89.01 93.09 9.48 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.937 -1.134 . . . . 60.43 107.937 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.94 84.26 3.48 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 114.947 -1.024 . . . . 63.32 109.492 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.472 0.643 0 CA-C-N 114.805 -1.089 . . . . 74.42 111.113 -170.838 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.413 HG22 ' HG2' ' A' ' 5' ' ' GLU . 9.8 t . . . . . 0 C--O 1.247 0.959 0 N-CA-C 109.637 -0.505 . . . . 71.41 109.637 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.57 -18.75 59.38 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 115.62 -0.718 . . . . 74.22 113.902 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.92 -36.39 69.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.34 0.656 . . . . 72.53 110.386 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG2' HG22 ' A' ' 2' ' ' THR . 12.9 mm-40 -66.4 -48.67 69.31 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.22 0.534 . . . . 62.05 110.249 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.686 HD21 HG21 ' A' ' 20' ' ' VAL . 24.7 tp -65.6 -39.46 91.57 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.389 -1.278 . . . . 72.41 110.585 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.13 -53.18 61.0 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.102 0.961 . . . . 62.4 109.929 173.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.96 83.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.898 -1.046 . . . . 64.22 109.829 -176.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.39 -36.29 83.66 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.525 0.73 . . . . 55.32 111.414 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.0 mt -77.93 -31.78 51.2 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.188 0.595 . . . . 55.05 110.334 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.56 -25.41 50.06 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.629 0.772 . . . . 73.24 111.465 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.31 -46.31 16.37 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.896 0.878 . . . . 74.25 108.87 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -74.41 -60.33 2.32 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.01 -0.996 . . . . 71.44 111.847 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -105.81 -24.01 12.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.153 0.581 . . . . 73.52 112.031 -170.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.43 17.72 70.55 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 113.37 0.108 . . . . 70.41 113.37 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 86.4 m-85 -135.48 141.95 45.42 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.747 0.819 . . . . 73.42 109.688 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 p -83.76 73.45 10.28 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.061 -0.972 . . . . 61.51 110.398 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 71.1 m-85 -71.31 156.8 39.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.365 0.666 . . . . 73.24 112.574 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.54 126.17 42.67 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.426 -0.953 . . . . 71.32 108.426 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.686 HG21 HD21 ' A' ' 6' ' ' LEU . 30.8 m -105.28 135.57 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.294 0.637 . . . . 61.43 109.438 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -132.45 128.28 37.11 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.67 0.388 . . . . 75.15 110.853 -173.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -67.69 149.21 50.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.2 0.6 . . . . 72.24 111.212 172.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -159.62 122.66 3.57 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.522 -0.763 . . . . 73.11 109.601 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -92.61 104.52 16.8 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.438 -0.949 . . . . 71.4 108.438 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -142.02 140.27 32.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.569 0.748 . . . . 45.42 109.631 -175.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 65.13 16.71 10.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.541 1.136 . . . . 73.45 112.193 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.27 -14.42 62.37 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.762 0.696 . . . . 40.52 112.546 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 51.4 mttm -108.55 162.85 13.75 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.731 0.813 . . . . 75.25 110.918 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -92.29 135.59 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 109.126 -0.694 . . . . 71.55 109.126 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 28' ' ' LYS . 66.5 m-85 -130.43 145.92 51.9 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.506 1.122 . . . . 70.34 108.797 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -106.63 97.65 7.42 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.038 -0.727 . . . . 74.4 109.038 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -87.97 109.46 19.83 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.889 0.376 . . . . 71.22 110.604 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.626 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 47.4 t -68.92 107.95 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.323 -0.853 . . . . 70.01 109.149 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.4 mmt -66.98 155.55 38.3 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.454 0.702 . . . . 54.34 111.413 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -70.54 -9.59 57.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.904 1.282 . . . . 74.03 111.603 171.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -75.82 128.43 35.13 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.136 0.974 . . . . 74.02 109.569 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -138.01 153.24 49.41 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.795 0.838 . . . . 72.22 110.063 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 tp -65.25 -17.68 64.7 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.7 0.8 . . . . 73.54 112.704 -168.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.72 -29.09 70.35 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.491 0.716 . . . . 75.33 111.487 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -84.2 139.67 32.23 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.032 0.533 . . . . 63.4 110.133 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.52 3.62 35.68 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.041 0.936 . . . . 75.02 111.783 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 m -102.56 17.2 24.27 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.579 0.752 . . . . 53.51 111.255 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.24 134.06 93.39 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 123.838 0.855 . . . . 75.11 110.72 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -52.78 -36.98 75.56 Favored 'Trans proline' 0 C--N 1.384 2.416 0 C-N-CA 123.842 3.028 . . . . 74.12 114.899 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -112.14 176.91 4.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.511 0.672 . . . . 74.2 111.065 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -84.09 -175.17 5.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 114.893 -1.049 . . . . 60.44 109.927 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.62 -59.9 4.02 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.113 0.965 . . . . 72.02 111.208 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 m -64.51 -42.17 95.97 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.43 0.692 . . . . 62.12 110.191 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.2 -39.73 75.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.646 0.778 . . . . 73.34 111.758 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 19.7 t80 -65.48 -47.18 76.96 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.396 0.678 . . . . 72.31 111.366 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -66.69 -35.56 80.42 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.975 0.416 . . . . 72.53 110.844 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.66 -23.36 49.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.613 0.765 . . . . 54.14 111.098 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.24 -45.9 82.77 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 109.238 -0.653 . . . . 53.35 109.238 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 95.0 mt -61.11 -39.71 91.04 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.76 0.662 . . . . 73.35 110.449 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.35 -32.41 70.1 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.153 0.908 . . . . 72.21 111.151 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -72.87 -41.55 64.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.545 -0.752 . . . . 75.02 110.352 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.13 -49.34 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.402 -0.817 . . . . 71.53 110.003 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -24.74 67.27 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 124.301 1.04 . . . . 63.51 112.059 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -62.81 -49.46 74.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.09 0.956 . . . . 73.0 109.988 171.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -72.47 -26.35 61.78 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.318 -0.401 . . . . 45.23 112.003 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.16 -40.16 95.54 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.077 -0.342 . . . . 73.33 110.077 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.13 -50.08 51.23 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.755 -0.657 . . . . 73.0 109.897 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 -50.49 73.1 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.573 1.149 . . . . 73.11 113.058 -172.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.17 -14.22 53.88 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.657 -0.701 . . . . 54.54 111.571 -175.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.52 30.82 39.06 Favored Glycine 0 C--N 1.354 1.539 0 O-C-N 123.417 0.448 . . . . 71.42 112.715 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.56 12.04 35.84 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.692 -0.504 . . . . 72.02 113.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.32 66.19 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.085 0.554 . . . . 52.11 111.652 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.95 -31.09 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 115.343 -0.844 . . . . 55.34 110.177 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.477 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.5 mm-40 -63.45 -38.4 90.98 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.959 0.504 . . . . 74.44 110.948 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.402 ' HA ' HG21 ' A' ' 89' ' ' ILE . 95.6 t -70.96 -47.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.544 0.738 . . . . 71.32 110.981 178.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.34 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.129 0.572 . . . . 62.13 111.23 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.6 m -63.87 -48.47 76.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.508 0.723 . . . . 62.44 110.599 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.437 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.1 t80 -66.72 -53.93 28.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.976 -0.556 . . . . 74.42 111.025 -174.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mt -57.33 -40.42 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.481 0.712 . . . . 75.52 111.108 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -69.91 -52.03 28.06 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 122.424 0.29 . . . . 62.14 111.688 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.94 -20.68 60.3 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 112.954 0.724 . . . . 72.13 112.954 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -79.92 178.01 8.51 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -149.77 21.88 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.597 0.759 . . . . 71.13 109.058 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -85.85 128.64 34.87 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.669 -0.696 . . . . 61.23 109.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -95.42 135.39 23.26 Favored Pre-proline 0 C--O 1.241 0.648 0 O-C-N 124.174 0.922 . . . . 72.11 109.366 -177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.28 119.29 6.29 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.455 2.103 . . . . 73.21 110.317 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 74.3 ttt180 -124.36 163.71 21.16 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.175 0.99 . . . . 71.13 108.604 -176.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.24 111.59 1.26 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.805 0.442 . . . . 54.4 111.061 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.11 5.26 83.35 Favored Glycine 0 N--CA 1.478 1.492 0 O-C-N 123.325 0.391 . . . . 71.42 113.261 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 62.8 tttm -129.17 103.61 7.07 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.774 1.23 . . . . 72.01 109.722 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.4 159.66 15.86 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.899 0.479 . . . . 62.33 111.021 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.626 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 57.9 t -98.66 90.35 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.717 -1.216 . . . . 71.24 107.717 171.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -80.63 103.52 10.54 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.454 0.702 . . . . 52.34 109.613 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.437 HG12 ' CD2' ' A' ' 73' ' ' PHE . 69.0 mt -81.41 116.6 63.88 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.174 0.99 . . . . 65.1 109.632 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.99 113.5 3.8 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 121.919 1.746 . . . . 74.41 111.287 175.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.17 93.32 9.0 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.611 -1.255 . . . . 71.31 107.611 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.477 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 32.0 t70 -68.64 86.68 0.32 Allowed 'General case' 0 C--O 1.243 0.711 0 CA-C-N 114.963 -1.017 . . . . 62.34 109.911 -176.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 124.5 1.12 . . . . 71.21 109.0 -178.875 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 5' ' ' GLU . 9.9 t . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 109.392 -0.596 . . . . 74.12 109.392 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.67 60.18 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.067 -0.296 . . . . 63.34 113.687 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.13 -42.19 69.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.089 0.556 . . . . 74.25 109.783 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 2' ' ' THR . 34.4 mm-40 -72.39 -37.6 68.66 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.851 0.46 . . . . 71.34 110.688 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.3 tp -64.94 -36.87 85.77 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.069 -0.514 . . . . 73.31 110.436 176.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -59.2 -52.95 63.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.07 0.948 . . . . 62.54 110.14 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -65.83 -24.34 66.87 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.117 -0.947 . . . . 75.35 111.942 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.34 -39.37 85.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.905 0.482 . . . . 73.34 109.993 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.3 mt -78.08 -36.42 48.21 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.558 0.743 . . . . 74.35 110.124 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.73 -31.07 66.31 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.839 0.856 . . . . 75.51 112.23 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.26 -38.93 55.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.722 0.809 . . . . 74.51 109.996 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -80.01 -66.0 0.93 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.031 -0.531 . . . . 74.23 111.254 -173.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.451 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.2 m-90 -105.56 -4.09 21.59 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.401 -0.818 . . . . 55.51 111.848 -171.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.05 7.08 84.0 Favored Glycine 0 C--N 1.35 1.328 0 N-CA-C 114.008 0.363 . . . . 73.43 114.008 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -141.69 145.73 35.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.166 0.986 . . . . 74.41 109.534 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.8 p -90.36 90.84 8.22 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.721 0.809 . . . . 73.55 110.122 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.43 151.23 24.79 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.462 0.705 . . . . 73.01 111.87 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.07 137.26 51.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.9 -0.778 . . . . 54.23 108.9 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG23 HG21 ' A' ' 57' ' ' VAL . 6.9 m -122.98 125.62 72.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.443 -0.947 . . . . 73.3 108.443 175.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -126.79 133.9 50.7 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.184 0.594 . . . . 74.43 109.727 -176.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' HB3' HD11 ' A' ' 29' ' ' ILE . 69.0 m-85 -66.94 142.61 57.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.569 0.748 . . . . 74.53 110.55 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -130.23 106.03 8.31 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -94.5 97.69 10.33 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.154 -1.054 . . . . 75.33 108.154 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -142.69 140.76 31.65 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.985 0.914 . . . . 53.45 109.346 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 65.51 21.12 11.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.405 1.482 . . . . 72.35 110.847 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.32 0.26 86.11 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 116.377 -0.374 . . . . 24.41 113.376 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -106.04 179.84 4.15 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.212 1.005 . . . . 61.25 110.371 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.0 tp -133.4 128.56 55.28 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 121.605 0.716 . . . . 70.43 110.656 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -129.78 124.8 34.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.486 1.114 . . . . 73.42 108.46 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -89.89 98.14 11.6 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.564 -0.902 . . . . 64.41 108.564 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 88' ' ' SER . 72.2 mt-30 -88.15 112.77 23.09 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.047 0.539 . . . . 71.32 111.288 -175.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.8 t -73.8 114.67 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.063 -0.972 . . . . 72.12 109.336 174.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.8 mmt -69.69 161.83 28.94 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.92 0.888 . . . . 64.44 111.284 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -82.07 -9.19 59.62 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.947 1.299 . . . . 75.22 110.159 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.0 116.83 22.43 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.78 0.832 . . . . 61.52 109.668 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -113.79 157.87 21.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.266 0.626 . . . . 74.53 110.357 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.26 -30.85 69.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.074 0.95 . . . . 73.14 112.905 -170.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.46 -16.33 63.86 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.501 0.72 . . . . 71.22 112.124 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.49 138.06 46.76 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.135 0.574 . . . . 63.33 109.756 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.81 63.7 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.02 0.928 . . . . 72.34 111.728 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.8 m -90.25 10.54 24.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.826 0.85 . . . . 63.23 112.572 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.81 129.07 93.59 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-O 118.936 -0.554 . . . . 74.31 110.015 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -63.91 -31.68 66.94 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.934 2.423 . . . . 74.12 114.23 -169.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 mtm -104.58 157.67 17.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.159 0.583 . . . . 73.15 110.733 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.614 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 52.0 m-80 -74.22 168.37 19.73 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.178 -0.465 . . . . 75.44 109.834 170.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.03 -40.76 97.03 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.842 0.857 . . . . 72.3 111.411 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 m -63.39 -48.74 76.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.727 0.811 . . . . 73.24 109.99 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.614 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.2 mm-40 -62.41 -37.52 86.13 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.552 0.741 . . . . 71.01 110.73 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -68.29 -41.33 81.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.916 0.886 . . . . 73.44 111.334 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -65.39 -43.63 90.07 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.012 0.434 . . . . 63.13 110.226 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.32 -29.06 68.53 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 115.235 -0.893 . . . . 75.34 110.717 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -68.46 -40.72 80.96 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.004 0.922 . . . . 73.25 110.072 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.52 -43.32 99.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.751 0.657 . . . . 75.1 110.363 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.56 -27.57 58.66 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.583 -0.735 . . . . 53.23 110.771 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.2 t -72.56 -36.81 68.31 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.054 0.542 . . . . 62.2 110.913 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.503 HG21 HG23 ' A' ' 20' ' ' VAL . 40.9 t -67.27 -51.71 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.237 -0.653 . . . . 71.43 109.237 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -22.23 65.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.979 0.911 . . . . 72.43 112.121 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.52 -45.67 78.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 71.42 110.656 174.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -75.52 -27.41 58.73 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.899 0.48 . . . . 72.41 111.014 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 91.9 mt -71.04 -29.79 65.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.087 0.47 . . . . 71.11 110.001 174.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -75.01 -45.84 39.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.921 0.888 . . . . 75.31 109.634 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.43 62.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.559 0.744 . . . . 72.32 111.782 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -83.12 -11.13 58.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.118 0.967 . . . . 71.54 112.117 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.97 17.31 79.96 Favored Glycine 0 C--N 1.351 1.389 0 O-C-N 123.376 0.422 . . . . 51.53 112.543 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.58 3.62 86.88 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.676 -0.513 . . . . 53.35 113.994 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.03 84.23 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.274 0.537 . . . . 72.44 111.514 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.74 -37.15 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.071 0.857 . . . . 72.23 110.064 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.59 -45.72 91.6 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.62 0.768 . . . . 64.31 112.46 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.475 ' HA ' HG21 ' A' ' 89' ' ' ILE . 67.2 t -65.19 -46.88 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.675 0.79 . . . . 61.52 110.328 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.75 -41.27 92.32 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.797 -1.092 . . . . 73.15 111.498 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -45.64 72.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.298 1.039 . . . . 62.41 110.416 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -62.13 -55.88 24.43 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.22 -0.9 . . . . 70.54 110.115 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.89 -32.85 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.453 0 C-N-CA 124.214 1.006 . . . . 74.42 111.835 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.5 m -68.88 -42.81 76.49 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.268 0.627 . . . . 74.3 111.238 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.05 -39.99 22.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.366 0.666 . . . . 72.13 112.751 -174.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 t -77.72 160.23 28.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.071 0.548 . . . . 71.1 109.689 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -125.16 12.7 8.3 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.599 0.759 . . . . 63.4 109.943 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.65 138.05 46.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.045 0.538 . . . . 75.4 110.869 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 89.8 mtt180 -107.18 142.96 26.17 Favored Pre-proline 0 N--CA 1.474 0.756 0 CA-C-N 114.976 -1.011 . . . . 73.53 109.869 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.9 118.17 5.18 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.296 1.997 . . . . 75.43 111.12 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.647 ' HB2' ' HB3' ' A' ' 85' ' ' LYS . 36.0 mmt180 -97.24 177.95 5.4 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.533 1.133 . . . . 72.31 111.242 -174.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.7 tp -81.31 92.42 6.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.823 -1.08 . . . . 73.12 109.577 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.74 -34.4 5.68 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.43 -0.805 . . . . 51.1 111.839 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 23.5 tptm -95.27 104.44 16.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.385 -0.598 . . . . 64.31 109.385 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.31 148.7 27.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.443 0.697 . . . . 55.53 110.383 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 63.2 t -74.84 89.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.293 -1.003 . . . . 54.12 108.293 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.403 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 32.0 t -78.12 94.48 4.71 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.465 -0.789 . . . . 72.44 108.964 -177.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.475 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -79.35 108.31 8.31 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 123.848 0.859 . . . . 73.52 109.568 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.5 115.22 4.26 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 121.704 1.603 . . . . 61.24 110.839 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.524 ' HB2' HG23 ' A' ' 29' ' ' ILE . 64.7 mt -83.55 95.96 8.48 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.748 -0.834 . . . . 71.04 108.748 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.11 90.82 2.53 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.64 0.733 . . . . 71.43 109.076 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 CA--C 1.54 0.58 0 CA-C-N 115.19 -0.914 . . . . 73.11 109.694 -179.726 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 tpp . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 109.905 -0.406 . . . . 61.53 109.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.6 p -106.96 170.67 7.81 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.612 1.165 . . . . 73.15 107.968 163.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.11 67.54 Favored Glycine 0 C--N 1.347 1.178 0 N-CA-C 112.012 -0.435 . . . . 62.13 112.012 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.19 -58.51 7.5 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.591 1.156 . . . . 74.31 110.126 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -58.32 -33.84 69.95 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.496 0.719 . . . . 62.05 111.367 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD21 HG21 ' A' ' 20' ' ' VAL . 19.2 tp -68.51 -52.84 27.83 Favored 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.187 0.929 . . . . 72.42 110.484 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HD2' ' OE1' ' A' ' 51' ' ' GLN . 11.5 ptm85 -64.21 -38.57 91.54 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.348 0.405 . . . . 73.32 111.123 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -66.93 -30.58 70.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.105 0.562 . . . . 64.05 110.593 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.4 tp -69.81 -34.05 73.17 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.084 0.554 . . . . 64.13 110.171 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.2 mt -78.12 -38.09 44.73 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.538 0.735 . . . . 72.51 110.937 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.43 -44.64 28.41 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.037 0.935 . . . . 75.12 111.223 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 -32.98 74.95 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.886 0.475 . . . . 70.12 110.834 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -81.29 -65.84 0.96 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.973 -0.558 . . . . 61.42 111.474 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.543 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 7.3 m0 -105.84 -11.28 16.29 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.775 0.83 . . . . 73.2 112.241 -168.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.54 16.78 77.14 Favored Glycine 0 N--CA 1.471 1.025 0 CA-C-O 119.882 -0.399 . . . . 63.43 113.534 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 83.2 m-85 -144.49 148.2 34.23 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.24 1.016 . . . . 71.04 109.164 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.6 p -93.79 93.33 7.91 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.447 0.699 . . . . 75.54 109.525 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.5 m-85 -83.11 158.74 22.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.796 0.838 . . . . 72.2 112.68 -174.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -79.56 143.18 35.05 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.072 -0.967 . . . . 70.11 108.588 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.689 HG21 HD21 ' A' ' 6' ' ' LEU . 16.3 m -131.12 127.09 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.732 0.813 . . . . 62.41 108.916 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -135.01 145.11 47.76 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.382 0.673 . . . . 73.1 110.424 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.617 ' HB3' HD11 ' A' ' 29' ' ' ILE . 79.8 m-85 -80.96 147.38 30.27 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.857 0.863 . . . . 75.41 110.645 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -145.51 132.0 19.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.413 0.685 . . . . 75.24 109.677 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.7 128.14 49.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.2 1.0 . . . . 74.23 109.568 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 t -143.68 128.8 18.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.73 0.812 . . . . 74.43 109.341 174.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 69.09 -3.56 1.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.108 1.363 . . . . 73.32 112.936 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.76 9.55 37.37 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 122.294 -0.254 . . . . 73.13 112.702 -171.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -100.67 154.25 18.75 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.442 1.097 . . . . 71.53 108.668 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 22' ' ' PHE . 9.5 tp -113.69 133.28 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.418 -0.586 . . . . 55.41 109.418 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -127.6 141.72 51.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.538 1.135 . . . . 73.03 109.058 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -101.42 100.27 10.72 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.812 -0.81 . . . . 74.21 108.812 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -86.86 107.01 18.14 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 123.48 0.712 . . . . 71.02 110.422 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 43.0 t -72.76 107.86 3.73 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-N 115.136 -0.938 . . . . 61.23 108.781 171.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -66.64 153.71 42.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.852 0.861 . . . . 72.12 110.706 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.0 p90 -79.78 -4.65 52.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.05 0.94 . . . . 72.21 111.798 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -88.9 133.95 34.12 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.637 0.775 . . . . 61.42 109.095 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HD1' ' HB2' ' A' ' 39' ' ' GLU . 10.8 p90 -133.42 157.6 45.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.14 0.976 . . . . 74.4 110.022 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.1 -19.19 65.87 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.4 0.68 . . . . 75.02 112.115 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' HD1' ' A' ' 37' ' ' TYR . 53.2 mp0 -73.66 -16.6 61.21 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.292 0.637 . . . . 44.13 110.867 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -70.02 137.0 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.604 0.761 . . . . 53.31 110.005 168.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.65 85.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.892 0.877 . . . . 61.11 111.484 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -97.6 40.67 1.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.033 0.933 . . . . 75.52 111.678 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -81.63 129.76 64.24 Favored Pre-proline 0 CA--C 1.565 1.52 0 N-CA-C 109.965 -0.383 . . . . 71.33 109.965 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.83 -6.98 20.36 Favored 'Trans proline' 0 C--N 1.391 2.78 0 C-N-CA 123.445 2.763 . . . . 70.24 114.696 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.6 mtm -121.94 144.05 49.1 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.388 0.675 . . . . 73.41 109.928 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -77.07 175.68 9.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.038 -0.528 . . . . 74.44 109.934 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.9 -47.06 86.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.757 0.823 . . . . 64.22 112.315 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.9 m -71.44 -46.41 60.13 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.022 0.529 . . . . 75.03 110.828 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.41 -39.43 87.34 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.826 0.85 . . . . 71.23 111.252 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.523 1.139 . . . . 64.04 110.478 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' OE1' ' HD2' ' A' ' 7' ' ' ARG . 54.9 tp60 -72.91 -37.72 67.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.773 0.429 . . . . 72.4 110.929 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.5 -32.39 73.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.717 0.807 . . . . 74.42 109.948 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -65.75 -46.71 77.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.237 1.015 . . . . 72.42 109.746 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 7' ' ' ARG . 95.2 mt -59.83 -42.72 94.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.681 0.613 . . . . 73.22 111.081 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -74.82 -27.22 60.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 124.05 0.844 . . . . 73.44 110.604 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 t -72.38 -41.75 65.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.177 0.591 . . . . 43.23 110.083 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.45 -46.6 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.108 0.963 . . . . 73.05 110.085 173.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -28.85 69.09 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.432 1.093 . . . . 61.42 111.511 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -62.01 -44.17 97.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.891 0.876 . . . . 65.24 109.879 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -70.02 -39.29 75.9 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.461 0.704 . . . . 71.02 111.22 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.68 -36.56 76.72 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.76 0.424 . . . . 62.44 110.416 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -72.9 -45.07 60.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.989 0.916 . . . . 72.41 110.738 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.54 95.7 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.064 0.945 . . . . 74.1 111.774 -175.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -89.21 -22.25 22.86 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.95 0.9 . . . . 73.52 111.475 -174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.87 12.22 69.03 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 116.631 -0.259 . . . . 64.12 112.609 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.21 -1.45 89.52 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 120.137 -0.257 . . . . 72.05 113.043 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.02 88.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.762 0.825 . . . . 70.42 111.824 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.99 -40.14 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.152 0.907 . . . . 63.51 109.283 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.515 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.3 mm-40 -63.48 -36.32 83.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.848 0.859 . . . . 63.34 111.3 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.08 -46.16 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.672 0.789 . . . . 64.33 110.513 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.63 -18.59 62.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.829 0.851 . . . . 72.01 112.312 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -90.12 -41.09 11.85 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.315 0.646 . . . . 75.21 109.826 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -68.32 -62.17 1.51 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.877 0.471 . . . . 60.45 110.521 -174.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.5 mt -58.53 -46.21 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.986 0.803 . . . . 71.0 111.625 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -62.06 -40.48 95.91 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 123.435 0.459 . . . . 55.41 111.516 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -83.3 -36.88 24.12 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.235 0.457 . . . . 73.04 112.235 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.6 t -72.95 155.66 39.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.577 0.351 . . . . 62.54 111.04 -172.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -105.86 4.2 29.45 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.505 0.722 . . . . 73.22 110.447 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -62.63 140.36 58.68 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.631 0.772 . . . . 72.44 111.38 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.543 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 42.8 mtt180 -119.46 137.92 25.95 Favored Pre-proline 0 C--O 1.243 0.729 0 C-N-CA 124.333 1.053 . . . . 74.44 108.753 167.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 33.2 Cg_endo -66.49 120.34 7.46 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 121.916 1.744 . . . . 64.42 110.347 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -125.11 156.57 38.1 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.572 1.549 . . . . 74.11 109.14 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 60.5 tp -56.33 99.48 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.844 0.858 . . . . 73.0 110.888 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.72 -26.88 11.06 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.418 -0.81 . . . . 62.14 113.309 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -112.65 103.23 11.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.671 -0.863 . . . . 71.22 108.671 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.38 145.52 24.88 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.198 -0.667 . . . . 60.25 109.198 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.527 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 73.6 t -79.9 87.7 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.775 -1.194 . . . . 60.21 107.775 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -85.35 87.28 7.37 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 115.122 -0.945 . . . . 63.23 108.886 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.8 mt -67.18 114.33 18.0 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.756 -1.111 . . . . 60.24 110.468 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.61 113.22 2.87 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.914 1.743 . . . . 72.1 110.529 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.0 mt -91.69 90.81 7.71 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.218 -1.03 . . . . 71.54 108.218 176.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.515 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 7.1 t70 -69.66 123.34 21.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.536 -1.211 . . . . 62.12 108.028 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.566 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 64.1 mt -117.58 24.37 11.13 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.778 -0.823 . . . . 61.4 108.778 173.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.03 -67.49 1.95 Allowed Glycine 0 C--N 1.352 1.432 0 N-CA-C 110.935 -0.866 . . . . 63.3 110.935 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.59 -28.82 51.74 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.004 0.521 . . . . 72.43 110.551 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 30.4 mmt180 -74.15 -34.89 63.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.546 0.738 . . . . 62.33 112.228 -169.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.05 -37.68 13.27 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.612 0.365 . . . . 64.05 111.384 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB3' HD11 ' A' ' 103' ' ' LEU . 67.5 m -62.51 -10.49 12.04 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.916 1.08 . . . . 65.21 113.916 -172.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -62.08 -47.59 83.99 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.406 0.682 . . . . 72.22 111.064 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -86.05 -15.87 39.96 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.876 0.307 . . . . 75.41 111.3 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.8 -31.58 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 109.094 -0.706 . . . . 72.25 109.094 167.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.9 mm 70.09 84.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.87 0 C-N-CA 124.606 1.162 . . . . 61.55 109.761 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 98' ' ' SER . 78.0 mt -79.96 112.42 17.24 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.35 -0.841 . . . . 64.52 109.176 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.248 1.006 0 C-N-CA 123.275 0.63 . . . . 75.53 109.518 -178.05 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.521 ' SD ' HD13 ' A' ' 6' ' ' LEU . 48.6 ttm . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 110.652 -0.129 . . . . 73.22 110.652 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.9 p -89.58 169.7 11.12 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.717 0.807 . . . . 74.1 109.23 167.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.05 61.92 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-O 121.036 0.242 . . . . 73.12 112.792 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 45.0 tt0 -65.82 -56.59 11.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.397 1.079 . . . . 64.12 110.223 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.33 -38.6 74.32 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.294 0.638 . . . . 65.11 112.454 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.778 HD21 HG21 ' A' ' 20' ' ' VAL . 37.2 tp -59.99 -54.24 48.38 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.922 0.764 . . . . 73.34 111.029 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.667 ' HB3' HD13 ' A' ' 54' ' ' LEU . 5.6 ptm180 -67.42 -39.57 85.47 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.41 0.444 . . . . 74.24 111.434 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -67.53 -30.57 70.26 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.146 0.578 . . . . 73.24 110.586 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.5 tp -64.28 -36.93 85.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.821 0.848 . . . . 73.51 110.327 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 22.6 mt -76.6 -35.9 57.83 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.713 0.805 . . . . 72.34 110.169 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.8 -33.0 64.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.264 1.026 . . . . 53.41 111.769 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -77.83 -45.09 25.36 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.111 0.481 . . . . 54.41 109.978 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -71.48 -56.91 5.01 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.266 -0.879 . . . . 74.22 111.35 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -112.86 -11.83 13.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.805 0.668 . . . . 73.41 112.805 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 6.73 85.24 Favored Glycine 0 N--CA 1.477 1.392 0 N-CA-C 114.249 0.46 . . . . 70.31 114.249 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.6 m-85 -137.82 146.28 43.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.64 -0.874 . . . . 75.53 108.64 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -86.6 94.63 9.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 107.123 -1.436 . . . . 42.11 107.123 173.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 81.5 m-85 -83.31 156.77 22.89 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.069 0.948 . . . . 55.21 111.401 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.23 145.84 41.63 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.76 -0.83 . . . . 72.53 108.76 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.778 HG21 HD21 ' A' ' 6' ' ' LEU . 4.6 m -121.29 126.36 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.071 -1.085 . . . . 74.2 108.071 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -128.62 134.04 48.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.045 0.538 . . . . 63.34 110.109 -173.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' HB3' HD11 ' A' ' 29' ' ' ILE . 67.3 m-85 -75.68 135.41 40.41 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.464 0.706 . . . . 64.53 110.239 174.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -138.07 109.42 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.037 0.935 . . . . 75.03 108.597 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -97.03 112.15 24.04 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.387 0.675 . . . . 73.2 109.548 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 t -136.02 139.28 42.99 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.223 0.609 . . . . 72.22 109.359 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 65.63 21.71 11.67 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.289 1.436 . . . . 60.23 112.073 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.17 -10.34 74.45 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.886 -0.597 . . . . 73.41 112.661 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -102.74 156.11 17.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.226 1.01 . . . . 73.0 110.577 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.3 tp -101.23 134.79 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 123.383 0.673 . . . . 74.41 110.066 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -128.36 138.07 52.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.096 1.358 . . . . 74.32 108.166 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD11 ' HB ' ' A' ' 20' ' ' VAL . 40.4 tp -99.78 101.6 12.79 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.25 -0.648 . . . . 62.2 109.25 174.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -90.85 111.7 23.21 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 110.242 -0.281 . . . . 74.34 110.242 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.31 109.31 2.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-N 115.547 -0.751 . . . . 74.54 109.193 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.01 156.47 35.94 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.986 0.914 . . . . 65.34 110.736 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -80.8 -2.67 48.09 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.448 1.099 . . . . 74.23 111.5 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -90.9 117.59 29.62 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.696 0.798 . . . . 72.22 109.737 -176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 164.7 12.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.252 1.021 . . . . 63.24 110.37 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.86 -12.07 59.89 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.75 0.82 . . . . 73.55 111.725 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.75 -36.12 71.66 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.612 0.765 . . . . 74.21 110.67 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.9 122.93 17.67 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.865 0.866 . . . . 72.14 110.246 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.75 -27.45 63.95 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.632 0.773 . . . . 73.22 110.982 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 m -90.86 12.67 18.69 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.785 0.834 . . . . 61.24 111.58 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -58.78 131.54 86.19 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.754 0.822 . . . . 70.32 109.816 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -60.19 -27.07 84.12 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.232 2.622 . . . . 73.32 113.552 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.6 mtm -108.43 152.06 25.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.858 0.863 . . . . 73.05 109.853 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 41.1 m-80 -77.05 179.91 5.96 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.749 0.42 . . . . 63.54 109.926 173.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.547 0.739 . . . . 74.13 111.69 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 8.5 m -76.86 -43.74 34.93 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.551 -0.295 . . . . 71.01 110.578 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 21.6 mm-40 -59.07 -38.36 79.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.816 0.847 . . . . 75.11 111.195 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -67.51 -40.65 85.13 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.453 -1.248 . . . . 64.24 110.991 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.442 HE22 ' HD2' ' A' ' 7' ' ' ARG . 58.1 tp60 -66.72 -36.48 82.57 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.574 0.226 . . . . 73.21 110.817 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 48' ' ' THR . 20.8 mm-40 -68.52 -33.51 74.26 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.969 -0.559 . . . . 73.01 110.344 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.12 -41.43 99.34 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.775 0.83 . . . . 75.32 110.33 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 7' ' ' ARG . 96.8 mt -65.64 -46.17 80.23 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.342 0.657 . . . . 73.32 111.225 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.91 -31.4 71.15 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.047 -0.524 . . . . 70.32 110.714 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -64.74 -44.16 91.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.558 0.743 . . . . 73.21 110.837 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -70.11 -48.43 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.643 -0.708 . . . . 72.35 110.76 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.01 74.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.696 0.798 . . . . 62.24 111.827 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.69 -43.32 99.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.132 0.973 . . . . 71.14 110.342 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -37.39 78.1 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.073 0.949 . . . . 72.23 110.588 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.17 -36.02 82.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.464 0.706 . . . . 74.23 110.149 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -65.63 -42.07 91.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 74.53 110.208 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.81 69.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.709 0.804 . . . . 62.04 112.052 -177.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 29' ' ' ILE . 96.0 mt -94.37 -22.51 18.27 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.816 0.847 . . . . 64.23 111.524 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 6.24 86.84 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.129 0.268 . . . . 71.42 112.696 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.79 -0.93 89.99 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 119.553 -0.582 . . . . 41.34 113.065 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.95 79.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.731 0.812 . . . . 42.1 111.217 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.62 -38.04 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 124.118 0.886 . . . . 61.51 110.094 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -64.96 -35.45 81.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.422 0.689 . . . . 64.15 111.715 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 89' ' ' ILE . 94.3 t -72.56 -45.38 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.081 0.553 . . . . 75.14 110.194 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.03 -33.91 75.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.955 0.902 . . . . 74.52 111.663 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.6 m -82.08 -48.55 11.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.512 0.725 . . . . 63.41 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.53 -50.11 75.19 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.486 0.714 . . . . 74.45 111.484 -175.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 77' ' ' THR . 23.8 mt -60.83 -39.12 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.861 0.726 . . . . 75.03 111.208 -176.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -70.26 -34.97 73.47 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 122.767 0.427 . . . . 73.23 111.453 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.079 0.552 . . . . 63.42 112.001 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 74' ' ' ILE . 6.6 t -82.38 155.51 24.67 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.037 0.446 . . . . 63.22 111.217 -168.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -102.7 -6.89 22.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.797 0.839 . . . . 73.5 110.0 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -61.06 134.31 56.94 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.496 0.718 . . . . 64.44 111.314 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -123.32 135.16 25.72 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.116 -0.947 . . . . 70.51 109.004 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.05 114.56 3.94 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 121.805 1.67 . . . . 44.01 110.205 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.96 169.42 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.861 1.264 . . . . 74.25 109.809 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.12 97.53 0.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.744 0.653 . . . . 64.22 109.78 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.59 -14.44 35.42 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.655 -0.702 . . . . 25.42 113.229 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -122.78 109.53 14.33 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 109.052 -0.721 . . . . 71.05 109.052 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.63 153.58 20.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.737 0.815 . . . . 64.23 110.68 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.2 t -84.34 94.02 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 108.05 -1.093 . . . . 71.02 108.05 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.5 t -78.61 102.63 8.07 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.699 -0.852 . . . . 70.13 108.699 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.497 HD13 HG13 ' A' ' 70' ' ' VAL . 60.7 mt -86.18 112.84 48.58 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 123.754 0.822 . . . . 74.21 109.04 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 113.97 3.83 Favored 'Trans proline' 0 C--N 1.369 1.611 0 C-N-CA 121.845 1.697 . . . . 73.2 110.638 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.1 mt -78.32 92.77 4.57 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.9 -1.148 . . . . 64.5 107.9 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.6 94.28 0.41 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.33 -1.305 . . . . 75.21 109.614 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 82.1 mt -119.53 33.32 5.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.082 0.553 . . . . 62.33 110.601 -174.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.04 -82.62 0.13 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 111.683 -0.567 . . . . 73.42 111.683 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -71.05 -27.31 63.56 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.819 0.848 . . . . 75.24 110.53 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.471 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 7.1 mmm180 -68.41 -40.83 81.12 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.174 0.59 . . . . 74.04 112.264 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 101' ' ' ILE . . . -77.34 -15.01 59.61 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 121.836 -0.54 . . . . 31.24 110.885 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.6 t -89.03 -8.42 54.05 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.719 0.808 . . . . 74.31 111.872 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.39 -56.25 24.39 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.615 0.766 . . . . 75.12 111.207 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -75.55 -8.45 56.78 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 115.679 -0.692 . . . . 73.52 112.429 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.436 HD13 ' O ' ' A' ' 97' ' ' ALA . 1.4 mp -65.56 -24.44 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.451 0.7 . . . . 52.11 110.532 172.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.8 mm 63.66 90.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.574 1.15 . . . . 75.14 109.414 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -80.34 126.55 31.31 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 114.886 -1.052 . . . . 71.15 110.14 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 C--O 1.251 1.141 0 C-N-CA 123.819 0.848 . . . . 62.41 109.406 177.417 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 109.455 -0.572 . . . . 73.25 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.5 p -75.75 167.91 21.01 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.763 0.425 . . . . 72.21 110.679 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.37 -22.4 69.34 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.274 0.359 . . . . 53.04 112.483 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -61.79 -54.99 34.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.875 0.87 . . . . 71.34 109.765 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.01 -35.75 81.39 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.421 0.689 . . . . 55.31 111.455 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 20' ' ' VAL . 64.6 tp -63.15 -45.39 92.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.044 0.937 . . . . 72.53 109.88 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.549 ' HB2' HD13 ' A' ' 54' ' ' LEU . 69.3 ttt180 -66.78 -42.9 85.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.539 0.736 . . . . 73.25 110.669 177.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -65.01 -26.8 68.43 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.532 0.733 . . . . 74.51 111.272 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 71' ' ' LYS . 50.4 tp -68.02 -37.55 81.53 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.745 0.818 . . . . 64.11 110.172 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.0 mt -74.92 -34.9 62.2 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.685 0.794 . . . . 72.31 109.935 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.428 HD21 ' OG ' ' A' ' 17' ' ' SER . 97.0 mt -73.72 -30.72 63.0 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.216 1.007 . . . . 62.43 110.868 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.26 -47.72 22.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.378 0.671 . . . . 74.24 109.881 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -75.86 -62.26 1.65 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.317 -0.856 . . . . 72.12 112.068 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -106.15 -13.31 15.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.694 0.398 . . . . 75.24 111.757 -172.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 11' ' ' LEU . . . 82.42 13.8 77.75 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 115.024 0.77 . . . . 62.04 115.024 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 91.4 m-85 -138.0 150.65 47.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.149 0.58 . . . . 71.14 110.536 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.428 ' OG ' HD21 ' A' ' 11' ' ' LEU . 18.0 m -85.82 71.59 10.64 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.516 -0.765 . . . . 71.31 109.74 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 94.3 m-85 -70.25 146.43 50.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.048 0.539 . . . . 63.31 111.264 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -75.91 137.16 40.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.753 -0.832 . . . . 53.45 108.753 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 33' ' ' VAL . 6.1 m -113.92 124.18 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 108.952 -0.759 . . . . 72.52 108.952 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.39 129.4 55.83 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.555 0.742 . . . . 63.53 110.76 -170.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' HB3' HD11 ' A' ' 29' ' ' ILE . 29.6 m-85 -74.62 129.03 36.99 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 122.549 0.34 . . . . 71.41 110.246 167.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -134.52 118.22 17.07 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.291 -1.003 . . . . 53.23 108.291 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -99.05 113.22 25.31 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.279 0.631 . . . . 73.52 110.727 -173.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -139.12 139.9 37.78 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.278 -0.638 . . . . 60.04 109.278 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 70.35 17.65 6.93 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.441 1.496 . . . . 70.14 112.106 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.19 -3.13 85.61 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.534 -0.303 . . . . 43.51 112.495 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -101.46 165.78 11.07 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 124.365 1.066 . . . . 71.0 109.717 -174.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 22' ' ' PHE . 8.8 tp -120.05 130.43 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.31 0.576 . . . . 51.35 110.321 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.02 125.23 36.88 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.681 1.193 . . . . 72.53 109.254 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.34 97.35 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 109.57 -0.53 . . . . 61.05 109.57 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -85.43 107.02 17.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.914 0.886 . . . . 72.22 110.194 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 20' ' ' VAL . 26.5 t -72.67 106.49 2.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 174.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.6 mmt -63.28 147.31 51.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.205 1.002 . . . . 64.21 111.618 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 30.9 p90 -73.19 -12.78 61.0 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.351 1.061 . . . . 73.31 111.937 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -86.21 123.24 31.26 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.333 -0.617 . . . . 60.35 109.333 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -118.15 161.31 20.08 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.568 1.147 . . . . 74.31 109.949 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 47' ' ' GLU . 33.2 tp -68.42 -21.38 64.67 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.368 0.667 . . . . 71.05 112.097 -169.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -68.32 -10.33 54.05 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 123.527 0.731 . . . . 73.2 110.928 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -90.9 137.08 32.63 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.725 0.81 . . . . 63.21 111.554 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.4 -20.31 59.0 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.804 0.842 . . . . 72.25 110.944 172.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -75.67 -5.29 44.81 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.22 1.008 . . . . 65.11 111.845 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.71 120.15 66.29 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.762 0.825 . . . . 75.13 109.281 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.53 -3.91 14.33 Favored 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.053 2.502 . . . . 74.51 113.495 -171.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.3 mtp -114.47 155.02 27.15 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.462 1.105 . . . . 42.11 109.151 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.568 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 83.8 m-20 -80.32 172.71 13.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.792 -0.64 . . . . 60.3 109.545 172.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' HA ' HD11 ' A' ' 38' ' ' LEU . 40.1 mt-10 -67.74 -34.34 76.63 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.497 0.719 . . . . 55.01 111.512 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 32.9 m -70.0 -45.2 67.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.409 0.683 . . . . 72.3 110.051 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 9.5 mm-40 -58.06 -42.57 85.77 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.551 0.74 . . . . 64.1 110.374 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -66.23 -43.17 87.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.67 -1.15 . . . . 70.11 111.415 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' LEU . 56.2 tp60 -67.02 -35.22 79.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.285 0.634 . . . . 73.11 111.159 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.0 mm-40 -74.23 -36.32 63.9 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.194 -0.457 . . . . 42.13 110.153 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -59.95 -40.9 90.58 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.963 0.905 . . . . 74.45 110.592 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 7' ' ' ARG . 70.3 mt -58.41 -51.45 69.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.016 0.927 . . . . 74.14 111.418 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.04 -22.97 55.13 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.363 -0.835 . . . . 71.45 110.78 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -69.64 -47.03 64.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.687 0.795 . . . . 73.12 109.559 171.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 40.5 t -62.44 -49.22 84.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 115.608 -0.723 . . . . 63.24 110.398 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.49 67.38 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.885 0.874 . . . . 52.34 112.147 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.62 -48.71 71.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.011 0.925 . . . . 71.42 110.078 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -70.48 -32.83 70.5 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.899 -0.591 . . . . 74.44 111.78 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 76.6 mt -59.6 -41.61 90.7 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.984 0.421 . . . . 74.02 109.946 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -70.02 -46.56 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.198 0.599 . . . . 73.4 110.814 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.64 77.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.991 0.916 . . . . 63.13 112.43 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.03 -22.09 19.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.831 0.853 . . . . 71.22 110.905 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.49 4.36 62.37 Favored Glycine 0 N--CA 1.478 1.498 0 O-C-N 123.36 0.413 . . . . 42.33 112.936 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 5.77 81.81 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 118.96 -0.911 . . . . 75.43 114.231 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.79 -46.47 81.93 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 118.199 0.999 . . . . 61.31 111.221 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.26 -36.38 76.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 114.956 -1.02 . . . . 55.03 109.638 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -61.6 -39.54 91.57 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.379 0.672 . . . . 54.05 111.52 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 89' ' ' ILE . 59.0 t -65.06 -52.5 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.629 0.771 . . . . 72.44 110.486 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 9' ' ' LEU . 46.7 mtpt -60.54 -39.66 88.68 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.69 -1.141 . . . . 74.12 111.359 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -66.4 -50.93 61.79 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.216 0.606 . . . . 72.2 110.018 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -58.08 -51.4 69.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.892 0.745 . . . . 72.4 111.149 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.7 -41.02 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.904 0.882 . . . . 61.1 111.016 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -72.9 -23.78 60.76 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.341 0.656 . . . . 74.14 111.844 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -80.46 -52.06 8.09 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.857 0.463 . . . . 71.2 110.499 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 t -72.67 177.92 4.45 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.692 0.797 . . . . 60.31 111.407 -174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -132.04 -2.47 3.61 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.694 0.798 . . . . 71.24 109.592 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -66.65 126.85 30.26 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.954 0.784 . . . . 71.24 110.819 -169.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -94.67 141.21 23.09 Favored Pre-proline 0 C--O 1.243 0.733 0 O-C-N 124.738 1.274 . . . . 72.12 109.575 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 22.1 Cg_exo -63.85 119.82 7.0 Favored 'Trans proline' 0 C--N 1.364 1.365 0 C-N-CA 122.195 1.93 . . . . 75.4 110.119 171.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 41.1 ttm180 -126.14 156.64 39.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.216 1.407 . . . . 73.25 108.353 -171.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.99 106.52 0.51 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.567 0.347 . . . . 62.5 110.546 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -24.1 28.18 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.685 -0.689 . . . . 63.05 112.51 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 8.5 tmtm? -110.4 104.25 12.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.377 1.071 . . . . 53.14 109.517 -177.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.9 144.04 26.79 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.225 -0.658 . . . . 74.1 109.225 170.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.529 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.9 t -84.21 88.44 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 107.907 -1.145 . . . . 63.43 107.907 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -80.2 100.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.25 -0.887 . . . . 51.42 109.561 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -81.65 111.78 28.75 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.53 1.132 . . . . 74.11 109.398 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.83 114.12 3.95 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 121.75 1.633 . . . . 72.35 111.012 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.5 mt -81.77 92.73 6.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.888 -1.153 . . . . 64.01 107.888 174.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.35 98.84 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.401 -0.818 . . . . 64.3 109.066 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 78.9 mt -121.98 85.6 2.44 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.46 -0.791 . . . . 70.31 109.359 -178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -119.65 -70.62 0.33 Allowed Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.247 -1.141 . . . . 62.23 110.247 170.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.39 -35.94 53.92 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.658 0.783 . . . . 73.35 110.308 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -77.77 -12.4 59.97 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.565 0.746 . . . . 64.22 111.646 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . . . -78.22 -15.64 58.6 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.468 0.307 . . . . 54.4 110.963 172.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t -93.12 -13.72 28.15 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.008 0.923 . . . . 72.13 112.235 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.26 -35.25 79.72 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.213 0.605 . . . . 74.32 112.115 -171.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -93.74 -5.03 49.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.445 0.698 . . . . 74.24 111.412 -174.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.0 mp -85.26 105.8 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 N-CA-C 107.712 -1.218 . . . . 74.05 107.712 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.9 mm -106.6 74.23 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.904 0.859 . . . . 61.13 108.821 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -111.36 82.83 1.67 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.207 -0.906 . . . . 30.12 108.765 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.256 1.404 0 CA-C-N 114.985 -1.007 . . . . 75.01 110.061 -179.255 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' HD12 ' A' ' 61' ' ' LEU . 61.9 tpp . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.217 -0.29 . . . . 75.32 110.217 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 p -103.29 168.85 8.91 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.894 -1.15 . . . . 75.25 107.894 166.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.57 68.53 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.927 -0.469 . . . . 72.44 111.927 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -71.01 -47.1 60.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.443 1.097 . . . . 73.11 110.288 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 24.9 mm-40 -62.66 -36.17 81.98 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.793 0.437 . . . . 73.31 111.221 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 20' ' ' VAL . 40.6 tp -61.37 -50.55 72.42 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.162 -0.926 . . . . 54.05 110.405 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' ' 54' ' ' LEU . 8.0 ptm180 -70.11 -35.21 73.97 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.373 0.421 . . . . 70.43 111.61 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -67.28 -34.06 76.62 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.011 0.524 . . . . 64.23 110.876 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 71' ' ' LYS . 65.8 tp -60.25 -40.33 89.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.663 0.785 . . . . 72.24 110.418 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 19.2 mt -75.63 -32.41 60.25 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.847 0.859 . . . . 74.42 110.219 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.41 -27.24 46.63 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.159 0.984 . . . . 65.41 112.112 -177.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -87.12 -43.88 11.94 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.032 0.533 . . . . 70.53 109.907 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -80.21 -44.92 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.648 -0.251 . . . . 72.53 111.225 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -114.61 -10.58 12.48 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.67 0.618 . . . . 75.35 112.67 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.75 5.1 89.54 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 114.572 0.589 . . . . 64.32 114.572 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -141.19 147.54 38.52 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.158 0.983 . . . . 74.42 109.395 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -92.62 86.16 5.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.415 -0.958 . . . . 62.22 108.415 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -81.53 156.96 24.99 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.819 0.848 . . . . 73.52 112.307 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.51 164.6 24.58 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 108.568 -0.901 . . . . 70.54 108.568 171.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 6' ' ' LEU . 5.9 m -139.84 130.66 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 123.677 0.791 . . . . 62.24 110.174 -175.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -110.84 129.08 55.96 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.065 0.946 . . . . 75.25 110.719 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -79.7 102.71 9.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.953 -0.758 . . . . 74.4 108.953 167.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -111.55 112.69 24.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.254 -0.647 . . . . 73.34 109.254 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -106.4 128.72 54.25 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.379 0.672 . . . . 75.31 109.765 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 t -136.5 132.08 34.82 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 124.339 1.055 . . . . 75.41 108.831 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 64.84 18.04 11.28 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.807 1.243 . . . . 65.44 112.339 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.39 -4.58 77.03 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.26 -0.427 . . . . 61.12 113.138 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -101.32 141.16 34.61 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 55.51 109.302 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 91' ' ' LEU . 10.5 tp -103.26 136.71 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-O 121.483 0.659 . . . . 72.14 110.549 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -131.96 125.21 31.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.605 1.162 . . . . 75.11 108.218 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.8 tp -88.91 96.12 10.58 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.302 -0.999 . . . . 71.52 108.302 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.64 102.05 13.82 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.492 0.717 . . . . 71.44 110.027 -177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 20' ' ' VAL . 41.8 t -64.49 117.8 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.117 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.2 mmt -70.17 150.45 46.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.522 1.129 . . . . 70.01 111.039 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 32.5 p90 -77.16 -17.58 58.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.675 0.79 . . . . 74.15 111.737 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.29 119.08 22.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.994 0.517 . . . . 75.51 109.921 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -113.02 157.73 21.17 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.221 1.009 . . . . 74.34 110.163 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 47' ' ' GLU . 58.2 tp -59.68 -31.5 69.62 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.924 0.89 . . . . 65.05 112.33 -173.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.41 -17.54 64.76 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.662 0.785 . . . . 64.31 111.3 -173.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.01 132.13 50.96 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.067 0.547 . . . . 75.3 109.814 172.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.57 -20.03 60.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.401 0.68 . . . . 55.34 110.608 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -101.06 18.49 19.62 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.776 0.83 . . . . 74.51 110.91 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.82 121.19 83.83 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.547 -0.908 . . . . 64.42 108.547 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.88 -19.38 58.55 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.835 2.356 . . . . 61.3 114.107 -168.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.0 mtm -106.56 151.5 24.93 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.247 0.619 . . . . 73.5 110.424 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -74.06 167.34 21.72 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.689 0.796 . . . . 75.04 110.703 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HA ' HD11 ' A' ' 38' ' ' LEU . 42.7 mt-10 -61.6 -42.36 98.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.953 0.901 . . . . 61.15 111.384 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.495 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 51.8 m -65.27 -54.69 25.45 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 123.886 0.742 . . . . 74.32 110.38 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.167 0.987 . . . . 71.24 111.663 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.98 -44.55 97.2 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.111 -0.95 . . . . 65.3 110.725 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -68.58 -29.59 68.16 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.741 0.416 . . . . 62.33 110.882 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 mm-40 -74.66 -29.2 61.15 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.183 0.593 . . . . 74.13 110.442 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -64.23 -44.85 90.59 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.898 -0.779 . . . . 73.45 108.898 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 7' ' ' ARG . 83.5 mt -64.38 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.468 -0.787 . . . . 61.12 111.034 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.16 -45.37 88.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.996 0.919 . . . . 73.21 110.238 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -60.74 -49.85 75.85 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.466 0.706 . . . . 72.31 110.185 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.514 HG21 HG23 ' A' ' 20' ' ' VAL . 63.5 t -58.96 -42.9 87.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 123.95 0.9 . . . . 74.22 110.618 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.55 77.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.016 0.926 . . . . 74.03 111.734 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -74.52 -28.67 61.07 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.094 0.871 . . . . 61.32 110.458 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.78 -36.05 62.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.948 0.499 . . . . 71.42 110.532 171.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.496 HD12 ' HG2' ' A' ' 1' ' ' MET . 76.1 mt -67.97 -28.58 67.57 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.454 0.645 . . . . 73.51 109.745 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -71.45 -51.11 25.57 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.11 1.364 . . . . 74.02 110.682 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.97 84.82 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.67 0.788 . . . . 63.14 111.899 -171.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.52 -25.2 26.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.876 -1.056 . . . . 72.31 111.139 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.77 31.98 28.21 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 111.645 -0.582 . . . . 62.01 111.645 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -99.91 10.46 60.44 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 119.523 -0.598 . . . . 71.25 113.549 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.04 -60.58 3.06 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.543 0.737 . . . . 62.34 112.262 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.71 -30.64 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.112 0.965 . . . . 75.0 110.211 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.68 -44.69 90.32 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.712 0.805 . . . . 64.41 111.23 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.522 ' HA ' HG21 ' A' ' 89' ' ' ILE . 72.6 t -63.45 -50.06 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.965 0.906 . . . . 74.35 110.506 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 9' ' ' LEU . 47.2 mtpt -61.13 -46.28 91.2 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.191 0.932 . . . . 63.34 111.694 -174.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.9 m -66.44 -42.46 87.64 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.266 0.979 . . . . 61.2 110.177 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD2' HG12 ' A' ' 89' ' ' ILE . 87.4 t80 -64.67 -50.12 68.27 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.343 0.402 . . . . 61.33 110.92 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.46 ' HA ' HG22 ' A' ' 77' ' ' THR . 40.7 mt -62.84 -38.23 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.648 0.779 . . . . 72.51 111.186 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.9 m -66.12 -33.25 75.35 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.297 0.639 . . . . 63.13 111.313 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -83.49 -38.11 22.21 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.041 0.536 . . . . 74.22 112.318 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 74' ' ' ILE . 11.4 t -75.82 134.56 40.34 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.152 0.501 . . . . 71.44 110.066 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -104.02 12.28 34.33 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.508 0.723 . . . . 62.21 110.52 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -83.81 167.59 16.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.228 1.011 . . . . 72.3 109.989 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -131.43 153.89 81.74 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 123.543 0.737 . . . . 71.22 109.983 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.446 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 8.1 Cg_exo -71.27 120.04 6.7 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.506 2.137 . . . . 71.44 109.928 168.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -131.73 163.12 28.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.125 0.97 . . . . 73.22 109.281 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.36 101.85 0.08 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.987 0.915 . . . . 53.41 112.007 -174.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.58 -28.31 15.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 115.671 -0.695 . . . . 62.41 111.972 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -103.03 103.83 13.95 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.897 0.879 . . . . 63.42 110.57 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.61 18.82 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.005 0.522 . . . . 63.24 109.843 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.1 95.46 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 108.719 -0.845 . . . . 73.5 108.719 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.8 t -77.34 109.77 11.52 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.134 -0.691 . . . . 73.5 109.134 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 70' ' ' VAL . 66.3 mt -92.57 111.95 53.27 Favored Pre-proline 0 N--CA 1.468 0.467 0 C-N-CA 123.694 0.798 . . . . 54.31 109.708 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.89 115.36 3.39 Favored 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.082 1.855 . . . . 75.1 110.132 172.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HB2' HG23 ' A' ' 29' ' ' ILE . 74.3 mt -98.69 109.24 22.03 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.638 -1.245 . . . . 72.15 107.638 172.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.1 94.05 1.48 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-O 121.334 0.588 . . . . 65.21 109.822 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.7 mt -107.09 35.88 2.88 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.957 -1.02 . . . . 52.02 108.418 166.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.1 -70.59 1.14 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 109.01 -1.636 . . . . 60.23 109.01 166.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -80.88 -41.73 22.63 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.331 0.652 . . . . 73.31 110.661 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -76.98 -10.35 59.3 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 112.4 0.519 . . . . 72.13 112.4 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.1 -26.26 27.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.785 0.434 . . . . 74.01 110.475 171.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.545 ' HA ' HD13 ' A' ' 101' ' ' ILE . 31.4 t -63.52 -9.54 13.56 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.033 0.753 . . . . 61.25 113.033 -174.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -57.63 -51.03 71.18 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.119 0.967 . . . . 74.42 111.175 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -78.51 -20.0 51.75 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 112.005 0.372 . . . . 73.52 112.005 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.545 HD13 ' HA ' ' A' ' 98' ' ' SER . 2.4 mp -66.3 99.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.076 0 N-CA-C 108.353 -0.981 . . . . 71.41 108.353 174.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.9 mm -120.9 -36.74 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.733 0 N-CA-C 107.171 -1.418 . . . . 62.12 107.171 170.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.0 mt 61.3 77.92 0.31 Allowed 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.866 1.266 . . . . 73.32 110.637 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 124.401 1.081 . . . . 73.01 111.045 -172.882 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 tpp . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.292 -0.262 . . . . 74.34 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.4 p -116.43 176.01 5.3 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.743 1.217 . . . . 72.41 108.26 169.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.77 -23.99 63.89 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 111.85 -0.5 . . . . 54.45 111.85 172.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -68.64 -59.25 3.26 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.56 1.144 . . . . 71.2 110.303 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.51 -43.96 89.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.567 0.747 . . . . 73.24 111.56 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 20' ' ' VAL . 52.1 tp -55.18 -50.51 69.16 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.901 1.28 . . . . 63.45 111.214 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.509 ' HB2' HD13 ' A' ' 54' ' ' LEU . 50.5 ttt180 -65.36 -40.93 94.18 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.88 0.738 . . . . 73.55 111.059 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -69.04 -20.78 64.12 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.591 -0.731 . . . . 72.23 110.884 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 tp -78.07 -34.76 50.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.286 0.634 . . . . 52.14 109.66 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.2 mt -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.642 0.777 . . . . 73.43 109.821 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.61 -33.52 35.82 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.528 1.131 . . . . 52.23 111.943 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.41 -44.32 71.62 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.216 0.606 . . . . 72.23 110.102 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -77.77 -65.04 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.499 -0.773 . . . . 72.44 110.792 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.5 m-90 -98.63 -35.35 10.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.987 0.515 . . . . 75.44 112.03 -169.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.81 9.14 54.95 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 113.753 0.261 . . . . 40.43 113.753 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -131.81 142.47 49.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.328 0.651 . . . . 70.3 109.32 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -84.34 91.43 7.78 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 109.236 -0.653 . . . . 61.2 109.236 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -87.45 150.03 24.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.211 0.604 . . . . 64.2 111.45 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.07 135.84 49.68 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.104 -0.702 . . . . 54.35 109.104 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 6' ' ' LEU . 21.9 m -123.28 125.88 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 108.539 -0.911 . . . . 65.55 108.539 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -129.5 141.49 50.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.536 0.734 . . . . 71.41 110.374 -177.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.687 ' HB3' HD11 ' A' ' 29' ' ' ILE . 62.7 m-85 -75.24 152.82 38.27 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.395 -0.82 . . . . 71.4 111.465 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -148.33 118.79 7.39 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.5 -0.773 . . . . 52.31 109.13 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -98.63 104.3 16.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.041 0.536 . . . . 75.4 110.407 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -137.21 140.02 41.44 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.772 0.829 . . . . 54.41 109.398 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 64.93 24.81 12.72 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.52 1.128 . . . . 73.21 110.836 -173.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.25 7.75 57.74 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 116.168 -0.469 . . . . 75.24 113.59 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -99.95 174.95 5.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.194 0.998 . . . . 51.15 108.796 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.7 tp -121.04 134.4 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 108.565 -0.902 . . . . 70.5 108.565 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -126.75 147.36 49.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.47 1.108 . . . . 61.5 108.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.7 tp -109.7 98.25 7.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.742 -0.836 . . . . 74.12 108.742 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -86.42 107.39 18.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 122.864 0.466 . . . . 75.33 110.024 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 22.5 t -72.63 103.29 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.156 -0.929 . . . . 63.13 108.511 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -63.26 161.21 14.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.355 1.062 . . . . 51.35 112.02 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -77.7 7.31 5.89 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.782 1.233 . . . . 75.01 112.181 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.46 101.88 13.26 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 124.166 0.986 . . . . 52.33 109.815 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -90.6 154.01 19.91 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.017 -0.734 . . . . 73.4 109.017 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 47' ' ' GLU . 49.4 tp -63.09 -17.92 62.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.507 0.723 . . . . 74.34 112.647 -174.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.66 -17.65 64.67 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.826 0.451 . . . . 72.11 111.922 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.3 136.21 49.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.04 0.536 . . . . 74.3 111.136 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.49 -16.47 54.23 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.761 0.824 . . . . 75.53 111.13 173.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 m -89.48 3.0 53.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.005 0.922 . . . . 71.13 111.626 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 27.9 t80 -62.35 128.24 90.97 Favored Pre-proline 0 CA--C 1.562 1.411 0 C-N-CA 123.705 0.802 . . . . 73.32 110.832 -174.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 34.7 Cg_exo -62.26 -32.13 82.18 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.107 2.538 . . . . 64.44 114.009 -171.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 44' ' ' PRO . 3.5 mpp? -99.97 161.31 13.69 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.446 0.698 . . . . 65.32 109.868 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -80.28 -174.16 4.41 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.157 0.583 . . . . 73.33 109.851 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' A' ' 38' ' ' LEU . 42.3 mt-10 -62.89 -57.86 9.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.77 0.428 . . . . 61.45 110.766 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 67.7 m -65.19 -47.03 78.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.767 0.427 . . . . 71.51 110.199 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -53.7 -35.68 61.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.442 0.697 . . . . 72.42 112.586 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -59.9 -47.29 86.38 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.887 0.475 . . . . 72.45 110.804 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -69.56 -30.93 68.83 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.942 0.497 . . . . 61.14 111.102 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.3 mm-40 -70.29 -33.6 71.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.938 0.495 . . . . 55.14 110.151 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.28 -43.05 87.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.028 0.931 . . . . 63.14 109.628 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 7' ' ' ARG . 96.8 mt -63.73 -40.08 95.86 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.496 0.719 . . . . 74.11 111.082 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.86 -41.39 97.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.449 1.1 . . . . 72.22 110.541 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.8 t -69.1 -39.97 78.66 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.217 -0.901 . . . . 52.1 111.292 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 40.2 t -67.2 -45.83 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.681 0.792 . . . . 62.5 110.92 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.21 68.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.924 0.89 . . . . 74.33 111.966 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.47 -42.21 98.58 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 41.12 110.28 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -71.33 -36.98 71.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.83 0.452 . . . . 73.0 111.01 174.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.42 -36.69 81.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.761 0.315 . . . . 72.11 110.452 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -71.25 -53.38 14.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.74 0.816 . . . . 74.12 110.723 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.925 0.89 . . . . 73.44 112.437 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.2 mt -81.74 -26.98 34.09 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.173 0.989 . . . . 73.32 111.721 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.59 12.96 71.25 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.959 -0.456 . . . . 61.34 111.959 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.01 -3.9 88.44 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 119.86 -0.411 . . . . 51.31 113.169 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.86 78.13 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 74.33 111.635 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.01 -35.03 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 114.713 -1.131 . . . . 55.11 110.587 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.8 -39.86 95.57 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.237 0.615 . . . . 72.31 110.813 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' HA ' HG21 ' A' ' 89' ' ' ILE . 86.1 t -67.47 -47.48 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.915 0.886 . . . . 72.55 110.718 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -58.95 -49.5 77.62 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.363 1.039 . . . . 70.44 110.995 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.1 m -66.62 -44.52 81.83 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.096 0.872 . . . . 73.35 111.105 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.3 t80 -66.31 -54.36 25.66 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.58 0.55 . . . . 74.34 111.11 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -58.05 -38.96 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 124.053 0.846 . . . . 73.33 111.384 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -65.74 -47.95 73.56 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.406 0.683 . . . . 75.22 111.695 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.05 -38.03 64.11 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.313 0.645 . . . . 72.32 112.552 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -70.02 162.86 27.34 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 72.44 110.469 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -129.59 16.07 5.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.872 0.869 . . . . 73.32 109.808 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -89.09 137.63 32.14 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.539 0.736 . . . . 72.13 110.646 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 64.0 mtt85 -110.17 142.65 26.39 Favored Pre-proline 0 C--O 1.239 0.505 0 CA-C-N 114.421 -1.263 . . . . 65.11 109.528 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.42 118.05 4.9 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 122.493 2.129 . . . . 40.24 110.821 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -128.69 155.99 44.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.414 1.086 . . . . 74.13 109.34 -170.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.87 92.06 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.693 0.797 . . . . 74.52 112.055 -174.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -18.81 19.55 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.856 -0.611 . . . . 61.11 112.915 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.41 103.27 8.82 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.647 0.779 . . . . 72.54 110.246 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.41 164.21 21.15 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.865 0.866 . . . . 60.22 110.768 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.9 t -92.69 89.76 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 N-CA-C 108.269 -1.011 . . . . 62.13 108.269 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -78.56 100.06 6.78 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 115.895 -0.593 . . . . 23.24 109.656 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -81.69 115.9 59.79 Favored Pre-proline 0 N--CA 1.47 0.573 0 C-N-CA 123.871 0.868 . . . . 71.41 109.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.79 113.67 3.84 Favored 'Trans proline' 0 C--N 1.369 1.64 0 C-N-CA 121.73 1.62 . . . . 71.23 110.548 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.554 ' HB2' HG23 ' A' ' 29' ' ' ILE . 49.3 mt -86.81 92.47 8.98 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.711 -1.218 . . . . 72.43 107.711 174.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.75 96.11 0.71 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.841 -1.072 . . . . 50.13 109.34 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.706 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 35.1 mt -114.56 31.31 6.72 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.613 -0.721 . . . . 74.14 111.175 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.32 -50.38 56.36 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 111.443 -0.663 . . . . 61.25 111.443 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.99 -25.59 17.92 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.878 0.871 . . . . 73.33 110.452 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.706 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 1.3 mmp_? -73.05 -8.58 56.39 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.265 0.626 . . . . 73.23 112.186 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.09 -26.15 65.68 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.925 -0.485 . . . . 61.15 110.61 170.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m -68.56 -14.07 62.76 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 112.952 0.723 . . . . 65.23 112.952 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 96' ' ' ARG . 15.7 mm-40 -58.64 -49.29 78.07 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.156 0.503 . . . . 74.54 110.712 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 13.3 p-90 -102.73 -3.81 25.94 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.43 -0.804 . . . . 74.31 112.175 -174.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -95.27 111.23 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 108.115 -1.069 . . . . 72.53 108.115 168.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 46.3 mm -129.61 108.24 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 107.609 -1.256 . . . . 74.05 107.609 172.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.13 156.9 25.63 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.302 1.041 . . . . 73.34 109.11 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 123.374 0.67 . . . . 73.53 109.541 175.567 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttp . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.26 -0.645 . . . . 70.34 109.26 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 p -86.06 168.73 13.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.704 0.802 . . . . 62.15 110.753 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.18 -20.51 71.19 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 112.201 -0.36 . . . . 62.21 112.201 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.71 -54.22 14.82 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.123 0.969 . . . . 75.14 110.037 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.64 -40.4 91.84 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.513 0.725 . . . . 74.44 111.075 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.655 HD21 HG21 ' A' ' 20' ' ' VAL . 37.7 tp -62.83 -41.77 99.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.91 0.884 . . . . 64.54 110.494 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.464 ' HB2' HD13 ' A' ' 54' ' ' LEU . 55.5 ttt180 -65.79 -44.73 84.85 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.136 0.574 . . . . 71.44 110.298 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -68.15 -22.15 64.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.221 1.008 . . . . 75.45 111.696 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 tp -74.75 -43.35 55.39 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.726 0.81 . . . . 72.42 109.787 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 33.0 mt -71.82 -33.97 68.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.158 -0.928 . . . . 72.11 110.394 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.69 -45.86 41.66 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.677 0.791 . . . . 64.12 111.663 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -58.54 -41.84 86.47 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.044 0.449 . . . . 71.52 110.429 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -77.21 -65.95 0.89 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.213 -0.903 . . . . 64.41 111.532 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -105.3 -10.99 16.69 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.129 0.788 . . . . 64.23 113.129 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.01 4.43 89.99 Favored Glycine 0 N--CA 1.474 1.21 0 N-CA-C 113.603 0.201 . . . . 63.24 113.603 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -139.92 138.39 35.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.105 0.962 . . . . 61.23 109.11 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -87.79 104.69 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.428 0.691 . . . . 63.0 109.61 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.8 159.95 14.97 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.836 0.854 . . . . 70.35 111.876 -176.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.71 120.26 15.19 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.741 -0.663 . . . . 74.11 109.455 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.655 HG21 HD21 ' A' ' 6' ' ' LEU . 12.8 m -103.99 126.02 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.092 -1.077 . . . . 72.13 108.092 174.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -137.53 138.23 39.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.966 0.412 . . . . 73.31 110.721 -173.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -72.74 136.6 45.54 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.348 -0.842 . . . . 75.13 110.224 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -143.82 116.35 8.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.473 -1.306 . . . . 75.35 107.473 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -107.21 146.69 31.09 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.137 0.575 . . . . 74.45 110.757 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -144.79 122.16 11.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.804 0.842 . . . . 73.21 109.196 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 63.39 23.49 13.75 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.904 1.281 . . . . 60.13 112.857 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 -7.42 54.52 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 120.204 -0.22 . . . . 73.42 113.463 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -100.28 146.83 26.45 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.737 0.815 . . . . 72.13 110.151 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.467 HG21 HD12 ' A' ' 93' ' ' LEU . 6.2 tp -112.55 133.97 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.472 0.709 . . . . 72.53 111.111 -177.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -131.46 120.78 23.48 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.268 1.427 . . . . 62.14 108.295 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 tp -89.72 101.88 14.57 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.01 -0.737 . . . . 72.13 109.01 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.34 114.8 24.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.166 0.587 . . . . 62.21 110.629 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 20' ' ' VAL . 22.0 t -80.98 100.93 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.309 -0.997 . . . . 51.22 108.309 172.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.417 ' SD ' ' HB2' ' A' ' 86' ' ' ALA . 18.8 mmt -70.49 161.28 30.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.013 0.925 . . . . 70.23 112.658 -176.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -77.25 -3.33 39.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.832 1.253 . . . . 73.53 112.458 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.77 121.9 33.04 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.7 0.8 . . . . 75.25 109.222 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -120.92 160.01 24.36 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.357 1.063 . . . . 70.43 110.065 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 47' ' ' GLU . 41.5 tp -65.86 -23.73 66.72 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.679 0.792 . . . . 75.23 112.87 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.93 -9.16 50.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.184 0.447 . . . . 72.42 111.518 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -86.83 136.53 32.94 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.773 0.429 . . . . 71.03 110.476 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.96 -22.84 58.32 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.399 -0.819 . . . . 74.22 110.023 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 p -80.83 8.74 7.53 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.124 0.969 . . . . 73.41 112.151 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -71.56 129.1 89.06 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.617 0.767 . . . . 61.31 109.713 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.13 -2.41 12.27 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 123.032 2.488 . . . . 64.32 113.915 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.1 mtm -119.44 147.58 44.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.262 -0.644 . . . . 72.12 109.262 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 5.7 m-20 -72.1 173.22 8.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.174 0.59 . . . . 71.24 109.902 173.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HA ' HD11 ' A' ' 38' ' ' LEU . 31.3 mt-10 -62.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.824 0.85 . . . . 55.2 111.281 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 59.8 m -72.71 -47.77 44.36 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.532 -0.758 . . . . 74.0 110.536 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.569 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.7 mm-40 -61.01 -30.15 70.13 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.179 0.592 . . . . 72.32 111.395 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' HD2' HD22 ' A' ' 38' ' ' LEU . 43.0 t80 -70.13 -44.72 68.31 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.453 0.701 . . . . 74.53 111.16 176.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.7 -35.24 79.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.831 0.348 . . . . 72.43 110.485 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.3 mm-40 -66.37 -36.88 83.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.878 -0.601 . . . . 72.44 110.522 174.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.5 -39.52 85.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.499 0.72 . . . . 75.13 110.976 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 7' ' ' ARG . 78.5 mt -61.44 -46.86 88.33 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.947 0.499 . . . . 65.22 110.785 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.25 -28.31 61.17 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.442 -0.799 . . . . 72.21 110.869 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -67.88 -49.58 61.22 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.171 0.588 . . . . 62.41 110.289 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 48.7 t -62.35 -45.81 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.042 -0.981 . . . . 64.22 110.025 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -21.79 63.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.299 0.64 . . . . 50.44 112.005 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -72.97 -36.37 67.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.307 0.643 . . . . 73.25 109.939 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.66 -36.02 67.85 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.205 0.202 . . . . 71.04 110.864 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.7 mt -66.6 -32.03 73.11 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.206 0.526 . . . . 63.24 109.984 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -68.41 -45.35 72.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.529 1.132 . . . . 75.01 110.729 171.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.93 57.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.821 0.848 . . . . 74.03 112.575 -172.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' HD13 ' A' ' 93' ' ' LEU . 91.6 mt -103.6 -19.21 14.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.314 0.646 . . . . 73.15 111.21 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.77 8.68 61.85 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 123.332 0.395 . . . . 64.2 113.3 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -78.81 -6.13 88.54 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-O 119.516 -0.602 . . . . 54.41 113.706 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.77 43.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.28 1.032 . . . . 75.03 112.834 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.76 -31.61 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.291 -0.868 . . . . 74.3 110.118 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -67.68 -37.53 82.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.493 0.717 . . . . 64.13 111.245 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 66' ' ' GLY . 77.3 t -68.73 -42.92 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.977 0.911 . . . . 63.12 110.185 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -64.35 -42.38 96.26 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.496 -0.775 . . . . 75.23 111.094 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -62.88 -46.34 88.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.89 0.876 . . . . 64.11 110.307 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.442 ' CD2' HG12 ' A' ' 89' ' ' ILE . 60.0 t80 -68.67 -57.53 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.572 -0.74 . . . . 71.25 111.098 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.1 mt -59.24 -38.28 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.676 0.79 . . . . 73.23 111.987 -174.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 m -69.04 -46.18 68.54 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.835 0.454 . . . . 65.44 111.355 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -82.16 -33.66 29.43 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.616 0.598 . . . . 61.04 112.616 -173.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.5 t -72.28 157.21 38.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.94 0.496 . . . . 72.24 109.676 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -117.37 10.59 13.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.283 0.633 . . . . 72.13 110.83 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.75 142.56 54.92 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.591 0.757 . . . . 74.2 110.288 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -111.08 148.3 38.38 Favored Pre-proline 0 N--CA 1.471 0.62 0 N-CA-C 109.358 -0.608 . . . . 73.34 109.358 169.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.33 120.35 8.06 Favored 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.613 2.209 . . . . 63.23 110.551 168.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -122.16 154.83 36.9 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.383 1.073 . . . . 74.22 108.864 -171.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.71 107.08 0.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.949 0.5 . . . . 43.34 110.534 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.66 -19.48 54.22 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 119.831 -0.427 . . . . 75.43 113.045 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -122.5 110.44 15.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.265 0.626 . . . . 52.23 110.527 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HB2' ' SD ' ' A' ' 34' ' ' MET . . . -83.01 163.53 20.92 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.257 0.623 . . . . 74.13 110.554 171.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 47.4 t -85.57 90.36 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 108.138 -1.06 . . . . 61.03 108.138 173.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -78.23 105.36 9.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.711 0.804 . . . . 74.01 110.025 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 73' ' ' PHE . 60.8 mt -86.77 108.53 18.71 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 124.186 0.994 . . . . 52.04 109.354 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.49 111.52 3.24 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.684 1.589 . . . . 72.1 109.461 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.453 ' HB2' HG23 ' A' ' 29' ' ' ILE . 92.0 mt -82.95 108.88 16.59 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.652 -0.499 . . . . 55.42 109.652 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.45 86.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.175 0.99 . . . . 61.35 108.802 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 64' ' ' LEU . 68.5 mt -121.82 27.54 8.08 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.455 0.702 . . . . 74.12 110.982 -174.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.28 -51.51 43.2 Favored Glycine 0 C--N 1.346 1.117 0 N-CA-C 111.485 -0.646 . . . . 34.3 111.485 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.74 -46.24 66.33 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.854 0.862 . . . . 71.11 110.405 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -71.93 -35.59 69.67 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.417 -0.811 . . . . 73.12 112.792 -168.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.99 -38.06 64.25 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.389 -0.597 . . . . 45.32 109.389 173.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -61.01 -16.3 41.79 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.074 0.549 . . . . 74.44 112.428 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.46 -43.47 96.87 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.232 0.613 . . . . 65.2 111.196 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -89.94 -21.71 22.32 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 119.219 -0.419 . . . . 73.01 111.332 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.3 mp -67.87 105.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.152 0 N-CA-C 108.549 -0.908 . . . . 73.21 108.549 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 44.1 mm -113.08 97.61 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.347 1.059 . . . . 61.54 108.33 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.8 mt -132.71 119.85 20.92 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.941 1.296 . . . . 71.31 107.734 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.56 1.333 0 CA-C-O 118.619 -0.705 . . . . 72.31 111.273 -175.717 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . 58.9 ttp . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.71 -0.478 . . . . 70.43 109.71 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.0 p -87.86 -178.48 6.04 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.396 1.078 . . . . 74.14 109.776 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.3 73.02 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.165 0.291 . . . . 40.43 112.464 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.61 -54.46 35.46 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.178 0.991 . . . . 61.11 109.364 171.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.44 -27.64 66.36 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.138 0.975 . . . . 63.24 111.947 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 20' ' ' VAL . 56.2 tp -71.82 -44.09 64.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.396 -0.594 . . . . 70.3 109.396 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.582 ' HB2' HD13 ' A' ' 54' ' ' LEU . 55.9 ttt180 -62.52 -42.71 99.7 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.787 0.679 . . . . 74.12 110.376 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -59.46 -40.74 87.83 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.117 -0.947 . . . . 74.22 110.604 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -29.7 70.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.982 0.513 . . . . 72.34 111.39 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 26.5 mt -79.82 -34.81 39.17 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.654 0.781 . . . . 64.4 110.638 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.27 -52.78 8.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.005 0.922 . . . . 74.03 111.229 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.59 -36.57 64.55 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.457 1.103 . . . . 65.4 112.031 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -81.63 -65.65 0.99 Allowed 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.264 0.352 . . . . 75.21 111.265 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -101.87 -33.9 9.6 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.468 0.707 . . . . 73.03 112.33 -168.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.04 41.38 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.16 -0.244 . . . . 45.12 113.527 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -135.54 141.31 45.2 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.295 0.638 . . . . 74.44 109.739 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 p -82.98 78.99 9.47 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.792 0.837 . . . . 73.15 109.687 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -72.22 156.53 39.04 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.599 0.714 . . . . 73.23 112.793 -175.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.23 142.68 36.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 107.854 -1.165 . . . . 64.34 107.854 167.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 6' ' ' LEU . 5.3 m -119.97 125.6 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.647 -0.872 . . . . 73.24 108.647 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -123.42 125.89 45.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.929 0.892 . . . . 75.11 109.819 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.3 m-85 -69.61 149.92 47.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.489 0.715 . . . . 64.41 110.223 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -142.13 114.7 8.46 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.468 0.707 . . . . 71.33 109.196 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -107.64 110.07 21.85 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.778 0.831 . . . . 75.2 109.571 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -144.63 139.93 28.37 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.248 1.019 . . . . 72.43 109.014 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 64.38 20.1 12.04 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.598 1.159 . . . . 64.11 111.011 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.35 83.24 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 116.267 -0.424 . . . . 53.12 113.377 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -102.9 160.96 14.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.513 1.125 . . . . 70.01 109.778 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.4 tp -118.04 133.92 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.54 0.686 . . . . 72.53 110.428 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -131.34 123.27 27.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.132 1.373 . . . . 74.0 107.793 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -90.28 97.65 11.31 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.024 -0.732 . . . . 23.12 109.024 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -87.81 102.18 14.42 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.743 0.817 . . . . 54.42 110.274 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 51.7 t -66.96 113.83 3.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.509 -0.769 . . . . 64.03 109.224 175.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmt -70.17 156.39 39.29 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.355 1.062 . . . . 74.53 111.379 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.2 p90 -77.13 -8.11 56.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.473 1.109 . . . . 75.21 111.786 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -81.21 136.24 35.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.261 1.024 . . . . 73.21 108.803 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -135.25 157.93 45.65 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.287 0.635 . . . . 75.41 110.057 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 50' ' ' TYR . 40.5 tp -65.31 -19.99 66.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.846 0.859 . . . . 71.05 112.149 -171.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -68.9 -23.69 64.22 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 122.329 0.252 . . . . 74.33 111.071 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -73.78 131.04 41.15 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.259 0.624 . . . . 74.11 110.503 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.66 63.64 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.943 0.897 . . . . 75.44 110.829 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 m -79.58 6.87 9.44 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.239 1.016 . . . . 51.14 112.51 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -70.48 124.1 90.24 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.325 0.65 . . . . 51.12 109.585 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -82.09 4.92 6.68 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 123.145 2.563 . . . . 73.43 114.187 -170.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.414 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 72.7 mtm -121.87 154.75 36.67 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.876 -0.787 . . . . 71.13 108.876 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.668 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 1.6 m-20 -68.6 167.46 15.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.172 -0.677 . . . . 74.13 109.172 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.37 -38.14 89.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.127 -0.488 . . . . 50.2 110.099 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 17.3 m -62.17 -51.88 66.04 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 123.599 0.562 . . . . 75.44 109.764 173.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.668 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.2 mm-40 -59.82 -32.74 70.94 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.722 0.809 . . . . 73.3 111.699 -176.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 38' ' ' LEU . 39.9 t80 -65.02 -47.69 76.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.785 0.834 . . . . 73.24 110.635 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -70.39 -34.35 72.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.569 0.347 . . . . 74.15 110.492 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' THR . 16.6 mm-40 -62.32 -43.56 98.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.669 0.788 . . . . 71.23 109.784 173.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.05 -44.42 96.72 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.579 1.174 . . . . 71.02 110.512 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.582 HD13 ' HB2' ' A' ' 7' ' ' ARG . 88.6 mt -60.43 -49.22 78.42 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.855 0.722 . . . . 62.33 111.125 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -71.09 -28.65 64.49 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.063 0.852 . . . . 75.03 110.404 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 t -70.84 -40.32 72.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.417 0.687 . . . . 71.24 110.026 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 37.9 t -67.66 -49.95 65.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 123.722 0.809 . . . . 62.23 110.281 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -69.45 -27.07 64.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.754 0.822 . . . . 65.33 111.639 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.08 -41.01 74.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.796 0.838 . . . . 51.53 109.861 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -40.36 89.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.346 1.059 . . . . 74.3 109.741 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 94.8 mt -65.32 -39.95 93.09 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.06 0.944 . . . . 71.15 110.073 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.81 -39.49 93.67 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.247 1.019 . . . . 75.44 110.703 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.89 90.4 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.434 0.694 . . . . 33.24 110.691 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.05 -27.9 60.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.906 0.882 . . . . 71.4 112.011 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.4 2.79 84.95 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 116.46 -0.336 . . . . 71.23 112.266 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.62 2.31 88.14 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 119.673 -0.515 . . . . 74.24 113.25 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.317 0.647 . . . . 65.23 110.836 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.39 -34.6 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.907 0.883 . . . . 65.21 110.142 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 17.2 mm-40 -68.39 -36.32 78.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.106 0.563 . . . . 74.34 111.771 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' HG21 ' A' ' 89' ' ' ILE . 80.9 t -65.14 -44.94 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 123.831 0.707 . . . . 75.24 110.172 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 8.6 mtpm? -65.09 -51.6 60.44 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.228 -0.896 . . . . 71.53 111.264 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -61.82 -40.26 94.63 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.6 1.16 . . . . 74.11 111.29 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CD2' HG12 ' A' ' 89' ' ' ILE . 66.6 t80 -66.99 -61.37 1.97 Allowed 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.226 0.611 . . . . 74.4 110.084 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mt -55.49 -43.42 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 124.275 1.03 . . . . 65.11 112.117 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -57.51 -53.42 58.39 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.459 0.704 . . . . 71.43 111.701 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -77.76 -41.69 36.66 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.067 -0.515 . . . . 65.11 111.975 -171.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.5 t -72.95 148.57 44.16 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.8 0.44 . . . . 75.34 110.265 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -106.97 14.86 25.98 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.246 0.618 . . . . 71.15 110.591 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.55 122.23 17.11 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 123.233 0.613 . . . . 74.32 110.251 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -108.36 133.12 20.69 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 124.383 1.073 . . . . 75.2 108.95 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.22 122.89 12.31 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.41 2.74 . . . . 74.13 111.832 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 39.0 ttm180 -131.22 155.74 46.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.118 1.367 . . . . 75.23 108.789 -171.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.02 104.29 0.55 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.348 0.659 . . . . 74.42 110.202 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.9 -10.16 58.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 115.763 -0.653 . . . . 71.25 113.364 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 7.7 tmtm? -124.2 103.9 8.52 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.96 0.904 . . . . 70.31 108.742 177.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 148.72 24.7 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.541 0.737 . . . . 71.2 109.669 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.1 t -78.96 89.18 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.761 -1.199 . . . . 74.45 107.761 172.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 t -78.44 93.4 4.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.638 -1.165 . . . . 72.13 109.059 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' VAL . 56.7 mt -77.43 110.86 13.87 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.043 -0.98 . . . . 72.34 108.946 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.38 112.99 3.66 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 121.351 1.367 . . . . 74.45 109.989 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 29' ' ' ILE . 61.2 mt -77.23 91.03 3.73 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.338 -0.986 . . . . 75.42 108.338 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.481 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 12.1 t70 -70.47 99.99 1.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.439 -1.255 . . . . 71.11 108.67 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 90.1 mt -125.19 15.44 8.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.025 -0.989 . . . . 74.34 110.89 -173.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.19 -58.51 9.46 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 111.415 -0.674 . . . . 62.03 111.415 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -88.63 -23.55 23.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.113 0.565 . . . . 72.05 110.224 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.663 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 75.9 mtt-85 -70.74 -13.09 61.93 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.974 0.51 . . . . 72.21 112.269 177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.413 ' O ' HD13 ' A' ' 101' ' ' ILE . . . -62.82 -32.05 73.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.949 0.499 . . . . 34.44 110.747 173.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 t -80.32 -9.55 59.74 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.212 0.605 . . . . 75.31 111.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 96' ' ' ARG . 43.7 mt-10 -78.58 -36.04 45.0 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.638 0.375 . . . . 64.25 111.592 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.408 ' HE1' ' HA ' ' A' ' 97' ' ' ALA . 39.2 p-90 -96.09 -6.5 38.39 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 122.211 0.204 . . . . 63.1 110.958 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 97' ' ' ALA . 1.8 mp -89.97 102.63 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 106.652 -1.61 . . . . 74.2 106.652 162.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.4 mm -103.79 100.15 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 109.119 -0.697 . . . . 64.03 109.119 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.4 mt -117.0 150.34 38.76 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.773 0.829 . . . . 71.21 110.075 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 CA--C 1.554 1.116 0 C-N-CA 124.825 1.25 . . . . 74.32 109.092 -179.444 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 tpp . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 109.782 -0.451 . . . . 74.12 109.782 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p -100.62 164.67 11.77 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.155 -1.054 . . . . 73.54 108.155 168.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.62 -30.98 69.81 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 123.037 0.21 . . . . 64.31 112.729 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -59.5 -56.07 26.57 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.883 0.873 . . . . 71.33 110.555 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.31 -34.13 77.03 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.678 0.791 . . . . 72.53 111.781 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 20' ' ' VAL . 39.8 tp -65.67 -44.03 87.54 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.715 0.634 . . . . 73.43 109.848 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB2' HD13 ' A' ' 54' ' ' LEU . 61.5 ttt180 -65.67 -41.48 92.41 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.214 0.606 . . . . 75.45 110.342 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -69.52 -22.05 63.62 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 71.51 111.207 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.99 -37.09 55.84 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.696 -0.483 . . . . 71.35 109.696 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 43.9 mt -76.47 -33.88 58.7 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.749 0.82 . . . . 75.22 110.545 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.75 -43.84 35.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.949 0.9 . . . . 55.51 111.428 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.35 -34.56 78.24 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.483 0.313 . . . . 71.45 110.764 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -81.68 -66.57 0.87 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.176 -0.466 . . . . 74.34 111.01 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.4 m-90 -102.68 -11.99 18.0 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.944 0.72 . . . . 74.32 112.944 -169.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.87 -1.61 87.92 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 113.707 0.243 . . . . 50.14 113.707 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -132.22 134.53 45.44 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.038 0.935 . . . . 73.21 109.58 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -85.73 93.94 8.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.213 0.605 . . . . 73.52 109.665 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 98.0 m-85 -82.72 160.42 22.36 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.331 0.652 . . . . 54.1 112.55 -176.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.14 140.54 41.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.759 -1.109 . . . . 53.03 108.29 169.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 6' ' ' LEU . 8.8 m -128.76 125.46 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.509 -0.923 . . . . 63.53 108.509 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -116.84 148.46 41.22 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.519 . . . . 70.43 109.983 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' HB3' HD11 ' A' ' 29' ' ' ILE . 45.2 m-85 -86.05 121.39 28.6 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 109.755 -0.461 . . . . 72.44 109.755 173.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.636 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 31.7 tpt180 -99.82 111.61 23.92 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.342 -0.985 . . . . 71.52 108.342 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.44 95.82 6.09 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.587 -1.264 . . . . 72.43 107.587 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 139.59 34.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.868 0.467 . . . . 74.44 109.886 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 63.53 27.84 15.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.081 1.352 . . . . 63.01 111.216 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.1 -3.36 71.66 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 115.78 -0.645 . . . . 74.14 113.677 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -101.05 163.21 12.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.29 1.036 . . . . 54.32 110.736 -171.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.8 tp -116.96 133.14 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-O 121.629 0.728 . . . . 74.04 109.994 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 59.5 m-85 -130.19 163.54 26.46 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 124.91 1.284 . . . . 75.25 108.135 177.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 tp -128.07 98.34 5.08 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.24 -0.652 . . . . 72.24 109.24 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -87.52 105.34 17.25 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.092 0.557 . . . . 74.13 110.412 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 46.6 t -68.74 103.42 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 N-CA-C 108.789 -0.819 . . . . 64.35 108.789 173.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.5 mmt -64.36 156.1 30.27 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.166 0.986 . . . . 61.51 111.51 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 44.4 p90 -77.39 -14.04 59.8 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.817 0.847 . . . . 74.21 111.638 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -78.28 110.0 12.91 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.098 0.559 . . . . 75.01 109.585 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 18.4 p90 -100.47 158.42 15.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.977 0.511 . . . . 73.35 110.195 173.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' A' ' 50' ' ' TYR . 53.9 tp -62.16 -26.95 68.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.972 0.909 . . . . 73.04 112.529 -171.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 35.3 tt0 -64.86 -23.73 67.32 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.39 0.676 . . . . 62.31 111.544 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -67.06 129.44 39.9 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.348 0.659 . . . . 64.21 110.415 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.39 62.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.958 0.903 . . . . 71.45 111.671 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -85.48 5.46 31.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.223 1.009 . . . . 63.53 111.825 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -68.62 123.54 88.0 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 122.873 0.469 . . . . 74.13 109.948 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.43 3.01 5.67 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.045 2.497 . . . . 73.44 114.701 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.58 157.22 42.68 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.039 0.935 . . . . 74.04 109.916 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -79.82 177.21 9.06 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.701 0.8 . . . . 70.34 109.882 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG2' HD21 ' A' ' 38' ' ' LEU . 45.8 mt-10 -64.79 -41.25 95.96 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.105 0.562 . . . . 70.41 111.731 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 m -72.33 -41.81 66.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.826 0.451 . . . . 74.23 110.69 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.62 -36.49 82.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.973 0.509 . . . . 73.2 110.858 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 54' ' ' LEU . 35.7 t80 -68.31 -39.94 81.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.089 0.955 . . . . 73.02 110.664 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -76.66 -31.16 57.14 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 122.267 0.227 . . . . 62.31 110.587 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.47 -35.58 80.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.139 0.575 . . . . 64.41 110.4 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.78 -46.52 78.43 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.233 -0.894 . . . . 64.3 109.966 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.62 HD13 ' HB2' ' A' ' 7' ' ' ARG . 86.5 mt -60.53 -46.5 89.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 74.25 110.864 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.93 -32.71 69.71 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.949 0.781 . . . . 73.53 111.358 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.3 t -67.99 -46.42 71.37 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.065 0.546 . . . . 73.4 110.188 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.4 t -59.64 -45.81 93.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 O-C-N 124.051 0.844 . . . . 63.2 109.865 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.38 73.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.475 1.11 . . . . 45.41 111.764 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.26 -39.71 86.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.276 1.03 . . . . 63.23 109.724 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -72.28 -35.25 68.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.425 0.69 . . . . 73.11 111.447 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 74.7 mt -63.84 -42.95 97.49 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.565 -0.532 . . . . 64.13 109.565 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -67.08 -46.05 75.46 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.429 -0.805 . . . . 74.43 110.567 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.49 81.47 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.747 0.819 . . . . 74.41 111.772 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -82.52 -19.8 37.97 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.173 -0.921 . . . . 64.25 111.189 -176.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.73 4.99 67.02 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 123.068 0.366 . . . . 52.14 113.036 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -84.22 3.59 85.67 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 119.343 -0.698 . . . . 35.4 114.072 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -60.57 -49.24 78.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.666 0.786 . . . . 71.25 111.825 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.93 -34.29 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 115.041 -0.981 . . . . 73.03 109.822 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -63.97 -39.01 93.17 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.533 0.733 . . . . 75.14 111.955 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 66' ' ' GLY . 79.6 t -64.59 -45.91 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.585 0.754 . . . . 74.23 109.921 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -59.07 -52.17 66.89 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.07 0.856 . . . . 73.14 111.009 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.3 m -60.28 -40.61 91.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.513 1.125 . . . . 64.03 110.768 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.27 -54.45 24.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.53 -0.759 . . . . 61.1 109.979 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 77' ' ' THR . 42.9 mt -63.77 -33.3 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.82 0.848 . . . . 51.24 111.652 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.2 m -66.1 -44.15 85.2 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.327 0.651 . . . . 75.1 110.356 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -84.61 -28.39 26.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.048 0.539 . . . . 74.03 112.397 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.9 t -73.02 148.45 44.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.394 0.616 . . . . 72.34 111.189 -172.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.23 4.1 17.57 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.858 -1.065 . . . . 64.12 109.726 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -83.31 143.6 30.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.459 0.703 . . . . 63.31 110.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 14.2 mtp180 -116.07 143.79 31.6 Favored Pre-proline 0 C--O 1.242 0.674 0 C-N-CA 124.502 1.121 . . . . 73.44 109.614 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.09 118.04 5.37 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.284 1.989 . . . . 70.22 110.778 172.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -122.62 165.14 16.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.645 0.778 . . . . 75.5 109.111 -176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.8 tp -54.62 106.36 0.21 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.532 0.733 . . . . 72.34 111.052 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.78 -28.33 12.57 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.479 -0.782 . . . . 74.04 112.748 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -114.44 119.37 36.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.696 0.799 . . . . 63.43 111.041 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.99 159.08 15.19 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.797 0.839 . . . . 63.13 110.349 171.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.5 t -90.79 89.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 108.067 -1.086 . . . . 64.25 108.067 171.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -77.25 100.47 5.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.963 0.905 . . . . 74.25 109.771 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -85.96 111.43 38.02 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.261 1.024 . . . . 70.41 109.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.41 115.53 4.26 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.298 1.998 . . . . 74.23 111.336 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.41 ' HB2' HG23 ' A' ' 29' ' ' ILE . 70.0 mt -84.43 96.96 9.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.149 -0.686 . . . . 52.3 109.149 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.13 93.5 3.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.357 -0.838 . . . . 71.41 109.725 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.5 mt -118.48 26.62 9.47 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.691 -0.686 . . . . 70.3 111.171 -172.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.11 -100.77 0.04 OUTLIER Glycine 0 C--N 1.347 1.166 0 CA-C-O 120.016 -0.324 . . . . 35.35 112.316 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.39 -37.82 84.8 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.012 0.925 . . . . 72.11 111.243 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -59.71 -38.95 83.01 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.929 0.768 . . . . 74.53 112.556 -173.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.95 -24.55 67.06 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.269 0.47 . . . . 62.41 112.269 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.1 t -69.06 -7.88 39.96 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 112.667 0.617 . . . . 64.1 112.667 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.86 -35.76 71.41 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.312 0.645 . . . . 54.45 111.484 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -103.96 -3.26 24.93 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 112.331 0.493 . . . . 73.34 112.331 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.08 96.88 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 107.5 -1.296 . . . . 65.13 107.5 167.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mm -104.99 101.41 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.843 0.857 . . . . 74.34 109.339 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.62 149.1 41.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.014 0.925 . . . . 73.32 109.517 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 108.756 -0.831 . . . . 74.33 108.756 -179.658 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.56 ' SD ' ' HB1' ' A' ' 67' ' ' ALA . 28.3 ttt . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 108.831 -0.803 . . . . 62.41 108.831 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 p -80.69 176.54 9.71 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 123.884 0.874 . . . . 73.03 110.459 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -25.24 70.57 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.983 -0.553 . . . . 73.41 112.711 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -61.18 -47.65 85.19 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.898 0.879 . . . . 70.23 110.644 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.19 -38.51 88.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.783 0.433 . . . . 73.15 111.257 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 20' ' ' VAL . 44.3 tp -64.07 -43.85 94.21 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.139 -0.937 . . . . 72.24 110.366 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -67.06 -41.85 85.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.894 0.878 . . . . 74.12 110.973 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -66.77 -22.98 66.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.788 0.835 . . . . 70.45 110.936 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.09 -36.76 55.49 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.946 0.898 . . . . 72.51 110.411 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 28.0 mt -71.76 -38.11 70.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.291 0.636 . . . . 72.41 109.873 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.45 -37.2 63.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.866 0.866 . . . . 70.54 110.901 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.65 -56.01 21.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.437 1.095 . . . . 64.33 110.454 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -84.86 -58.95 2.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.43 -1.259 . . . . 72.53 111.823 -169.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.506 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.5 m0 -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.504 0.557 . . . . 73.32 112.504 -168.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.36 4.57 85.97 Favored Glycine 0 C--N 1.348 1.247 0 N-CA-C 114.507 0.563 . . . . 44.1 114.507 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.435 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.8 m-85 -132.25 145.15 51.11 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.964 0.505 . . . . 74.55 109.931 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.6 p -83.62 80.83 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.231 -0.895 . . . . 73.41 109.791 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.435 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 84.1 m-85 -77.57 147.98 35.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.19 0.596 . . . . 73.24 111.99 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.27 141.88 48.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.713 -0.847 . . . . 71.41 108.713 169.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.711 HG21 HD21 ' A' ' 6' ' ' LEU . 17.0 m -129.07 127.19 65.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.422 -0.955 . . . . 62.41 108.422 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -129.94 143.24 50.7 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.992 0.517 . . . . 73.21 110.142 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.593 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.8 m-85 -77.59 152.65 33.85 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.216 -0.902 . . . . 74.24 111.555 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -143.04 120.85 11.92 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.313 -0.858 . . . . 50.12 108.704 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -115.45 107.52 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.789 0.836 . . . . 73.25 108.832 -170.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -144.24 137.99 27.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.52 0.728 . . . . 54.22 109.878 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 59.76 29.36 18.92 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.615 1.166 . . . . 72.31 111.567 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.34 4.57 84.4 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 116.338 -0.392 . . . . 65.31 113.589 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -104.24 160.08 15.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.292 1.037 . . . . 73.44 110.131 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 22' ' ' PHE . 11.1 tp -122.43 136.66 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 109.549 -0.537 . . . . 72.2 109.549 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.62 124.14 27.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.273 1.029 . . . . 74.23 108.742 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -91.49 98.44 11.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.588 -0.893 . . . . 71.24 108.588 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -87.26 111.89 21.48 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 110.134 -0.321 . . . . 73.01 110.134 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.522 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 55.5 t -69.72 112.31 4.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 123.871 0.869 . . . . 53.11 109.49 173.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 36.7 mmt -71.68 156.74 39.02 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.776 0.798 . . . . 73.12 111.347 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -76.6 -14.96 59.95 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.937 1.695 . . . . 74.12 110.825 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -73.33 107.9 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.854 0.862 . . . . 73.0 109.025 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -108.68 153.89 22.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.674 0.39 . . . . 75.3 110.157 172.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.99 -25.36 65.19 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.418 1.074 . . . . 62.42 112.642 -171.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.46 -3.64 28.79 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.684 0.794 . . . . 51.01 112.447 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.46 138.7 32.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.426 0.69 . . . . 64.53 109.654 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.3 62.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.736 0.815 . . . . 73.42 110.928 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.2 p -69.19 -15.06 63.31 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.346 1.058 . . . . 72.32 112.676 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.39 125.79 85.02 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 124.158 0.983 . . . . 75.32 110.602 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -82.08 2.78 8.3 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.919 2.412 . . . . 62.33 114.721 -165.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.5 mtm -123.0 154.9 37.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.308 0.643 . . . . 75.41 110.4 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -77.39 170.33 16.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.63 0.772 . . . . 60.21 109.956 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.49 -61.46 2.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.965 0.906 . . . . 74.14 112.684 -170.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 14.3 m -65.97 -36.6 83.78 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.693 0.797 . . . . 74.34 110.839 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.24 -31.09 70.33 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.054 0.541 . . . . 71.11 111.31 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 15.9 t80 -66.6 -37.99 86.07 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.247 0.619 . . . . 74.32 110.321 170.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -67.12 -38.67 85.99 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.107 0.563 . . . . 73.53 110.537 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 48' ' ' THR . 17.0 mm-40 -70.48 -30.65 67.51 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.972 0.509 . . . . 74.22 110.746 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -64.05 -48.34 76.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.501 0.72 . . . . 72.22 110.254 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 73.0 mt -61.89 -38.06 86.9 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.625 0.578 . . . . 64.53 110.804 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.22 -29.36 62.75 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.911 -1.04 . . . . 73.02 110.617 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 t -70.28 -43.05 71.24 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.859 0.864 . . . . 73.52 110.182 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.7 t -61.24 -47.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 114.995 -1.002 . . . . 45.55 109.891 176.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.0 -24.13 62.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.737 0.815 . . . . 73.41 111.878 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.09 -44.27 84.87 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.518 0.727 . . . . 71.5 109.662 172.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.06 -40.15 94.31 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.341 -0.845 . . . . 75.11 110.842 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.4 mt -62.59 -39.31 93.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.886 0.474 . . . . 73.21 110.644 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.87 -49.45 70.47 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.394 0.677 . . . . 75.21 110.56 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.47 97.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.435 0.694 . . . . 61.42 112.286 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.78 -18.04 48.91 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.422 -0.808 . . . . 71.31 111.637 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.84 85.9 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 112.139 -0.385 . . . . 72.22 112.139 -168.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.45 -2.91 88.43 Favored Glycine 0 C--N 1.352 1.456 0 CA-C-O 119.464 -0.631 . . . . 71.03 113.068 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.56 ' HB1' ' SD ' ' A' ' 1' ' ' MET . . . -62.82 -49.0 76.65 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.59 0.756 . . . . 74.55 110.984 177.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.67 -30.68 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 114.911 -1.04 . . . . 64.41 110.487 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -66.57 -45.57 78.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.018 0.527 . . . . 44.43 110.725 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 89' ' ' ILE . 88.9 t -66.69 -45.07 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.493 0.717 . . . . 75.31 110.939 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -62.04 -54.19 44.92 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.66 -0.7 . . . . 74.44 110.906 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -58.75 -43.24 90.23 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.92 0.888 . . . . 73.45 111.556 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.59 -59.67 4.32 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.495 0.497 . . . . 74.43 110.519 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.559 ' HA ' HG22 ' A' ' 77' ' ' THR . 52.7 mt -62.65 -37.14 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.476 0.71 . . . . 51.13 111.365 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -65.52 -38.16 88.85 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.327 0.651 . . . . 72.1 111.77 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -95.8 -10.41 29.12 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.47 0.545 . . . . 74.53 112.47 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 74' ' ' ILE . 5.9 t -97.45 157.67 15.88 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.591 0.632 . . . . 62.54 109.603 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -127.93 27.86 5.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.48 1.112 . . . . 72.43 108.229 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -99.03 125.14 44.44 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.62 0.768 . . . . 71.23 110.634 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 67.7 mtp180 -100.34 146.13 31.45 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.268 -0.878 . . . . 74.25 110.65 -177.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.53 141.12 41.31 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.551 2.167 . . . . 73.41 111.476 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 2.9 tmt_? -136.22 162.09 33.93 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.821 1.248 . . . . 75.43 108.089 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.54 104.01 0.1 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.496 0.718 . . . . 74.14 111.425 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.4 -34.28 5.68 Favored Glycine 0 N--CA 1.473 1.158 0 CA-C-N 115.685 -0.689 . . . . 54.1 112.284 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 23.4 tptm -87.96 113.4 23.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.716 1.206 . . . . 74.45 110.754 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.87 147.87 24.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.51 . . . . 64.42 110.364 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.522 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.2 t -89.44 91.68 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.098 -1.075 . . . . 61.32 108.098 171.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 t -78.43 105.47 9.71 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.483 0.713 . . . . 50.31 109.332 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -87.78 113.13 53.13 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.501 0.72 . . . . 71.31 109.23 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.56 113.69 3.59 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 121.992 1.795 . . . . 55.03 110.652 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HB2' HG23 ' A' ' 29' ' ' ILE . 57.8 mt -89.45 95.0 10.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.5 -0.926 . . . . 73.5 108.5 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.36 107.69 1.71 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.149 -0.685 . . . . 65.12 109.149 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.602 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 19.6 mt -106.73 11.92 29.73 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.988 -1.006 . . . . 74.41 109.522 171.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.91 -58.88 7.61 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 111.225 -0.75 . . . . 53.34 111.225 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.12 -42.63 65.81 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.223 0.609 . . . . 64.1 110.212 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.602 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 32.9 mmt180 -66.63 -17.37 64.79 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.691 0.997 . . . . 74.14 113.691 -172.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.12 86.25 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.25 0.548 . . . . 62.25 111.286 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -71.01 -6.6 40.16 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.531 0.732 . . . . 65.0 112.557 -172.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.68 -39.29 37.14 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 122.966 0.506 . . . . 70.43 111.613 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -93.32 -7.67 44.2 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 117.615 0.189 . . . . 73.44 111.483 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.58 98.85 8.84 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.01 -1.478 . . . . 71.13 107.01 163.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 41.8 mm -99.62 101.62 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.132 0.573 . . . . 74.41 109.54 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.2 mt -119.27 108.26 14.42 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 108.233 -1.025 . . . . 71.53 108.233 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 CA--C 1.561 1.369 0 C-N-CA 124.065 0.946 . . . . 75.15 109.707 -178.649 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 108.629 -0.878 . . . . 75.41 108.629 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 4' ' ' GLN . 4.2 t -97.09 158.54 15.38 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.554 -0.536 . . . . 73.04 109.554 171.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.29 -17.76 53.52 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-N 115.697 -0.683 . . . . 51.43 113.617 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 58.7 tt0 -62.49 -61.81 2.18 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.665 0.786 . . . . 72.42 109.78 171.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.43 -35.57 68.0 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.186 0.594 . . . . 75.33 111.701 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 20' ' ' VAL . 17.2 tp -69.28 -47.69 63.83 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.234 -0.894 . . . . 72.33 111.349 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' NH2' ' HG2' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -67.66 -39.33 84.54 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 118.112 0.414 . . . . 71.13 110.951 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -66.71 -27.55 67.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.966 0.506 . . . . 71.43 111.41 -176.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.33 -38.97 78.44 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.588 0.755 . . . . 74.01 109.879 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.1 mt -76.85 -33.82 57.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.922 0.889 . . . . 73.23 110.821 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.6 mt -77.97 -29.43 49.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.295 1.038 . . . . 64.4 111.097 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.76 -44.05 21.42 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.288 -0.415 . . . . 74.42 109.888 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 74' ' ' ILE . 24.8 tptp -76.67 -57.97 3.55 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.662 -0.699 . . . . 74.02 111.614 -172.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -107.9 -16.65 14.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.872 0.469 . . . . 72.13 111.782 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.27 6.5 68.68 Favored Glycine 0 N--CA 1.472 1.075 0 CA-C-O 119.911 -0.383 . . . . 61.22 113.988 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 92.0 m-85 -142.22 147.43 36.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.466 0.706 . . . . 73.13 110.248 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -86.93 86.42 7.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.518 0.727 . . . . 72.12 109.895 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.7 m-85 -79.22 146.38 33.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.369 0.668 . . . . 55.41 112.019 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.72 128.89 37.69 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.882 -0.414 . . . . 71.21 109.882 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 HD21 ' A' ' 6' ' ' LEU . 16.3 m -114.21 126.82 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 108.602 -0.888 . . . . 73.21 108.602 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -142.23 143.87 33.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.798 0.439 . . . . 53.2 110.209 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 29' ' ' ILE . 81.9 m-85 -74.72 158.83 32.88 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.699 0.8 . . . . 70.3 111.601 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 19.1 tpt180 -146.25 117.92 8.09 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.443 -0.798 . . . . 62.11 109.266 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.89 111.49 24.03 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.761 0.825 . . . . 73.44 109.621 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -145.93 137.36 24.87 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 109.377 -0.601 . . . . 61.43 109.377 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 64.93 15.53 9.99 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.986 1.314 . . . . 72.14 112.93 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.0 0.79 77.22 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-O 120.499 -0.056 . . . . 74.42 113.073 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.17 162.61 12.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.12 0.968 . . . . 74.2 110.741 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -123.85 134.78 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.642 0.777 . . . . 74.35 109.303 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 82.8 m-85 -132.05 135.97 46.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.78 1.232 . . . . 72.01 109.083 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -97.39 100.35 11.79 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.149 -0.685 . . . . 74.3 109.149 171.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -90.37 109.36 20.48 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.227 0.537 . . . . 63.11 110.959 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -74.44 106.64 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 114.597 -1.183 . . . . 73.11 109.311 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -63.13 163.87 9.44 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.299 1.039 . . . . 50.31 112.101 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.543 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 25.2 p90 -85.77 -8.16 58.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.618 1.167 . . . . 72.42 112.217 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -96.65 144.01 27.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.957 0.503 . . . . 72.32 110.095 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -135.05 159.39 41.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.103 -0.953 . . . . 73.31 110.835 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' HD2' ' A' ' 50' ' ' TYR . 48.8 tp -67.38 -22.92 65.54 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.222 1.009 . . . . 71.22 112.404 -171.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -70.95 -11.2 60.83 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.321 0.649 . . . . 53.33 110.892 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -84.62 131.35 34.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.833 0.853 . . . . 65.1 109.399 168.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -11.41 60.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.402 0.681 . . . . 74.32 111.105 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.6 t -84.13 -11.44 56.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.111 0.964 . . . . 74.31 111.702 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.28 124.2 76.76 Favored Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 123.794 0.837 . . . . 74.01 110.295 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.21 -37.74 59.75 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 123.519 2.813 . . . . 43.24 113.947 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.1 mtm -96.55 144.6 26.48 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.031 0.532 . . . . 64.12 110.001 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -83.36 -179.1 7.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.781 0.832 . . . . 74.23 109.356 174.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.0 mt-10 -59.81 -45.29 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.784 0.661 . . . . 72.15 112.784 -171.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.8 m -81.16 -33.09 33.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.851 0.46 . . . . 34.31 110.529 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -59.39 -48.48 81.48 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.515 0.674 . . . . 73.41 110.268 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.509 ' HD2' HD22 ' A' ' 38' ' ' LEU . 48.8 t80 -72.9 -33.9 66.31 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 114.401 -1.272 . . . . 73.22 111.643 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.503 ' HG2' ' NH2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -66.78 -46.98 73.58 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.253 0.549 . . . . 73.3 109.71 -177.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.98 -26.06 62.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.471 -0.786 . . . . 73.42 111.014 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -63.75 -44.25 94.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.533 0.733 . . . . 72.51 110.199 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 7' ' ' ARG . 87.4 mt -59.71 -49.07 79.17 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.3 0.64 . . . . 64.33 110.811 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.18 -32.48 73.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 124.012 0.82 . . . . 74.03 110.796 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.2 t -70.22 -46.92 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.557 0.743 . . . . 72.1 110.62 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 40.5 t -61.1 -44.13 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.777 0.831 . . . . 71.12 110.192 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -28.28 67.05 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.672 1.189 . . . . 64.31 111.858 -176.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.84 -46.87 76.92 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.483 -0.781 . . . . 74.43 109.584 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.82 -33.44 75.87 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.69 0.619 . . . . 63.52 111.743 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 78.7 mt -61.06 -41.83 97.35 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 122.446 0.299 . . . . 64.13 110.63 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -76.2 -40.21 52.83 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.458 0.303 . . . . 74.34 111.223 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.96 90.97 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.04 0.936 . . . . 71.12 110.953 -177.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.3 -24.31 29.92 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.311 -1.313 . . . . 62.11 110.703 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.6 8.99 61.85 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 113.795 0.278 . . . . 73.55 113.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -86.16 4.02 86.45 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-O 119.532 -0.593 . . . . 72.21 113.543 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.44 87.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.557 0.743 . . . . 53.13 111.872 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -35.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 115.491 -0.777 . . . . 74.1 110.06 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.25 -33.69 74.85 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.455 0.702 . . . . 74.42 111.353 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 66' ' ' GLY . 87.0 t -68.97 -46.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.671 0.788 . . . . 75.14 110.225 173.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -69.83 -22.18 63.3 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.241 -0.89 . . . . 74.42 111.81 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -78.19 -54.87 5.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.262 -0.644 . . . . 60.12 109.262 173.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -63.39 -59.72 4.32 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.148 -0.933 . . . . 71.32 111.211 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 52.9 mt -56.92 -45.92 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.602 0.761 . . . . 73.32 111.451 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -65.63 -27.66 68.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.299 0.64 . . . . 73.41 111.889 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -95.12 -33.93 12.47 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.816 0.673 . . . . 54.44 112.816 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -76.9 126.82 31.62 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.145 0.498 . . . . 72.44 111.162 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -87.35 6.43 33.66 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.272 0.629 . . . . 74.43 110.888 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.78 140.88 40.9 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.433 0.693 . . . . 72.25 110.021 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -115.36 142.96 29.51 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.395 -0.82 . . . . 73.45 109.328 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.543 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 45.4 Cg_endo -70.06 119.18 6.15 Favored 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.04 1.827 . . . . 71.15 110.412 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 77.1 ttt180 -125.21 162.1 25.43 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.963 1.305 . . . . 75.34 108.848 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.4 tp -48.52 111.96 0.53 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.274 0.63 . . . . 55.43 110.709 174.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.74 -34.65 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.032 -0.531 . . . . 50.15 112.627 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 61.8 tttp -90.94 103.19 15.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.808 0.843 . . . . 65.35 110.821 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.87 137.17 32.6 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.361 -0.607 . . . . 75.11 109.361 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.2 t -76.85 88.16 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 N-CA-C 108.116 -1.068 . . . . 73.44 108.116 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -83.34 108.33 16.46 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.263 -0.881 . . . . 71.31 109.309 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.7 mt -89.52 109.68 33.57 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.056 0.942 . . . . 73.03 109.341 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.01 112.31 2.68 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 121.724 1.616 . . . . 74.42 110.24 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.616 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.6 mt -84.82 95.62 9.04 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.729 -0.841 . . . . 74.24 108.729 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.61 90.44 1.36 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.537 -1.21 . . . . 54.34 110.587 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.1 mt -103.29 28.09 6.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 74.3 110.35 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.84 -79.17 0.2 Allowed Glycine 0 C--N 1.352 1.45 0 O-C-N 123.154 0.284 . . . . 73.35 112.473 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.2 -21.8 36.28 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.09 0.556 . . . . 75.31 110.632 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -73.81 -6.79 49.19 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.447 0.699 . . . . 63.35 112.014 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.94 70.18 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.48 0.312 . . . . 73.52 111.225 167.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -76.04 -10.92 59.81 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.361 0.875 . . . . 74.15 113.361 -172.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.8 -42.72 99.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.19 0.596 . . . . 71.31 111.384 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -87.7 -12.37 45.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.146 -0.479 . . . . 71.1 111.767 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.41 103.33 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 107.459 -1.312 . . . . 74.52 107.459 168.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.4 mm -97.36 -57.16 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 N-CA-C 107.599 -1.259 . . . . 74.02 107.599 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.5 mt 51.9 37.88 22.05 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.712 1.605 . . . . 75.12 113.321 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 . . . . . 0 CA--C 1.547 0.827 0 C-N-CA 123.836 0.854 . . . . 75.02 109.455 172.689 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 66.7 ttp . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.456 -0.572 . . . . 70.41 109.456 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -81.71 176.81 9.31 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.782 0.833 . . . . 61.12 110.498 172.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.45 -23.2 73.51 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.414 0.446 . . . . 75.05 112.812 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -61.04 -51.05 70.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.054 0.942 . . . . 70.54 109.594 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.567 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 14.3 mm-40 -67.89 -39.81 83.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.365 -0.834 . . . . 73.34 110.478 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD21 HG21 ' A' ' 20' ' ' VAL . 47.1 tp -61.88 -44.17 97.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.321 -0.854 . . . . 72.15 110.437 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.532 HH22 HD23 ' A' ' 38' ' ' LEU . 44.6 ttt180 -63.64 -46.05 87.4 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.088 0.555 . . . . 65.44 110.566 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -63.77 -24.47 67.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.575 0.75 . . . . 53.4 112.133 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.71 -40.34 63.66 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.526 0.731 . . . . 64.11 110.138 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.0 mt -71.3 -35.82 71.43 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.596 0.759 . . . . 63.33 110.19 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.92 -36.05 56.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.858 0.863 . . . . 75.22 111.427 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.22 -49.4 72.13 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.769 0.668 . . . . 54.44 111.184 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -85.77 -50.24 7.31 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.475 -0.784 . . . . 73.43 111.565 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 18.6 m0 -105.59 -23.08 12.85 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.8 0.667 . . . . 75.51 112.8 -169.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.48 81.06 Favored Glycine 0 N--CA 1.479 1.566 0 N-CA-C 114.085 0.394 . . . . 42.42 114.085 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -132.84 143.29 49.43 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.458 0.703 . . . . 60.23 109.614 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -87.31 81.47 7.89 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.506 -0.924 . . . . 75.41 108.506 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -75.56 145.2 41.42 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.599 0.76 . . . . 75.22 111.518 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.61 143.49 56.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.072 -0.714 . . . . 55.34 109.072 173.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.611 HG21 HD21 ' A' ' 6' ' ' LEU . 14.6 m -129.41 138.86 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.962 0.905 . . . . 74.31 108.867 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.05 145.88 26.64 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.494 0.717 . . . . 71.24 110.631 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 29' ' ' ILE . 93.8 m-85 -81.31 152.5 27.53 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.583 0.753 . . . . 63.25 110.565 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -145.78 129.1 16.8 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.054 0.942 . . . . 74.55 109.009 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -100.45 96.36 7.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.625 -0.88 . . . . 75.0 108.625 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -133.37 139.56 46.87 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.921 -0.77 . . . . 74.42 108.921 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 68.82 18.03 8.67 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.175 1.39 . . . . 73.0 111.462 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.37 6.3 86.35 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.5 -0.318 . . . . 64.33 113.08 -176.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -106.48 -176.42 3.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.889 1.276 . . . . 34.21 109.637 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 22' ' ' PHE . 9.8 tp -130.93 129.45 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 N-CA-C 109.282 -0.636 . . . . 72.31 109.282 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.07 130.56 45.03 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.245 1.018 . . . . 54.32 109.278 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.7 tp -92.8 100.14 12.68 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.825 -0.806 . . . . 70.3 108.825 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -85.19 112.76 21.01 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 109.758 -0.46 . . . . 55.12 109.758 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG22 HG12 ' A' ' 20' ' ' VAL . 29.7 t -79.31 105.23 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 114.958 -1.019 . . . . 71.33 109.017 174.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.43 152.07 44.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.614 1.165 . . . . 65.02 111.671 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 36.0 p90 -73.67 -18.99 60.96 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.28 1.032 . . . . 75.24 111.808 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.83 115.63 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.792 0.837 . . . . 74.43 109.308 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 3.9 p90 -110.53 164.99 12.17 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.006 0.922 . . . . 74.43 109.606 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 HH22 ' A' ' 7' ' ' ARG . 42.5 tp -68.42 -23.78 64.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 118.877 0.762 . . . . 73.31 111.703 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -70.7 -5.5 30.2 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.838 0.855 . . . . 73.21 110.936 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tp60 -59.87 132.03 52.69 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 124.71 1.204 . . . . 64.3 110.458 177.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.0 -21.96 66.72 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.137 0.575 . . . . 74.5 111.867 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -134.9 68.22 1.48 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.698 0.799 . . . . 75.23 109.763 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.09 121.99 81.18 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.182 -1.044 . . . . 74.31 108.182 169.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.15 -11.66 6.27 Favored 'Trans proline' 0 N--CA 1.513 2.638 0 C-N-CA 123.921 3.08 . . . . 74.33 115.545 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 mtp -123.7 156.3 36.22 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.005 0.922 . . . . 74.15 110.183 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.621 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 72.8 m-20 -76.56 171.73 14.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.111 0.564 . . . . 65.31 110.588 175.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.79 -41.08 97.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.949 0.9 . . . . 74.5 111.064 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -67.77 -46.38 72.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.623 0.769 . . . . 70.53 110.523 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.6 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.125 0.97 . . . . 71.12 110.222 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' HD2' HD22 ' A' ' 38' ' ' LEU . 68.4 t80 -70.25 -38.77 75.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.092 -1.413 . . . . 72.0 112.079 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.7 -44.77 80.82 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.647 -0.501 . . . . 61.41 109.647 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.83 -23.72 62.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.81 0.844 . . . . 73.41 111.275 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.57 -45.94 74.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.104 0.562 . . . . 74.45 109.882 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 7' ' ' ARG . 96.0 mt -60.68 -38.83 86.24 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.835 0.709 . . . . 71.04 110.146 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.99 -39.67 87.19 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.137 0.898 . . . . 62.13 110.881 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -66.22 -48.08 71.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.396 0.678 . . . . 52.45 110.474 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.08 -50.91 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.993 0.917 . . . . 71.43 110.331 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -70.12 -19.76 63.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.979 0.911 . . . . 74.14 112.015 -177.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.28 -33.97 61.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.974 0.51 . . . . 60.25 110.007 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -71.96 -39.93 69.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.752 0.421 . . . . 62.01 109.997 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 58' ' ' ALA . 85.8 mt -59.79 -33.35 71.61 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.284 0.564 . . . . 73.31 110.068 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -72.06 -45.72 59.67 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.042 0.937 . . . . 72.54 111.281 172.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -21.76 59.52 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.879 0.872 . . . . 72.15 112.579 -172.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -103.74 -24.06 13.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.368 0.667 . . . . 62.11 110.499 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.47 18.18 49.86 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.936 -0.575 . . . . 62.22 112.11 -173.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.69 2.67 80.53 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-O 119.355 -0.692 . . . . 64.3 113.957 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.84 65.42 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.564 0.682 . . . . 75.21 110.902 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.43 -34.45 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 123.72 0.637 . . . . 73.44 110.521 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 9.5 mm-40 -63.48 -39.37 94.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.21 0.604 . . . . 75.24 110.546 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.11 -48.04 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.949 0.9 . . . . 75.14 111.039 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.01 -47.86 79.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.055 0.942 . . . . 74.44 111.181 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.0 m -64.4 -48.68 74.49 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.379 1.072 . . . . 65.2 110.867 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -65.61 -46.32 79.79 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.872 0.469 . . . . 72.3 111.394 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 77' ' ' THR . 47.9 mt -65.94 -36.67 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.301 0.64 . . . . 71.31 111.301 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.1 m -62.6 -38.82 91.67 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.331 0.652 . . . . 73.22 110.954 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -75.27 -49.16 20.15 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.378 0.671 . . . . 65.44 111.72 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.6 t -71.27 116.08 11.17 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.452 0.644 . . . . 73.13 110.978 -171.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.43 -6.25 57.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.659 0.784 . . . . 72.14 110.483 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 124.093 0.957 . . . . 65.52 110.463 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 98.4 mtt180 -122.95 148.12 53.19 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.262 1.025 . . . . 74.32 109.907 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.43 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 35.9 Cg_exo -60.35 119.07 6.05 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.184 1.923 . . . . 63.44 111.108 172.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 8.5 tpt180 -114.3 165.39 12.75 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.615 1.166 . . . . 74.14 107.864 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.33 114.76 3.09 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 118.775 0.716 . . . . 72.42 110.694 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.5 -7.58 81.63 Favored Glycine 0 C--N 1.349 1.287 0 CA-C-N 115.876 -0.602 . . . . 75.34 113.567 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 50.6 tptt -118.5 104.86 11.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 72.0 109.935 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.92 152.59 21.16 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.266 0.626 . . . . 74.43 109.603 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.46 95.03 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.384 -0.969 . . . . 62.12 108.384 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.4 t -78.43 114.96 17.8 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.681 0.792 . . . . 73.11 110.016 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.6 mt -96.71 110.27 52.44 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 123.641 0.777 . . . . 72.4 109.413 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.24 113.7 3.77 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.273 1.982 . . . . 52.24 110.937 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.597 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.6 mt -93.1 111.53 23.19 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 108.226 -1.027 . . . . 64.34 108.226 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.424 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 26.1 t70 -77.41 97.02 4.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.228 -0.656 . . . . 64.23 109.228 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 43.2 mt -104.02 27.6 7.5 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 107.833 -1.173 . . . . 63.12 107.833 163.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.74 -58.99 3.12 Favored Glycine 0 C--N 1.355 1.61 0 N-CA-C 110.491 -1.044 . . . . 52.23 110.491 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -77.4 -51.5 10.69 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.438 -0.949 . . . . 75.31 108.438 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -65.88 -9.51 29.92 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.09 1.144 . . . . 61.24 114.09 -171.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 93' ' ' LEU . . . -55.86 -47.1 77.92 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 118.581 0.628 . . . . 75.33 111.336 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 t -72.27 -8.73 56.44 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 113.559 0.948 . . . . 70.11 113.559 -164.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -89.86 -29.9 18.27 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.698 -0.626 . . . . 75.31 111.951 175.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 97' ' ' ALA . 16.0 p-90 -100.98 -6.57 24.32 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 118.288 0.494 . . . . 73.31 110.931 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 mp -105.08 99.86 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 106.195 -1.78 . . . . 71.13 106.195 164.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.9 mm -110.56 119.37 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 108.418 -0.956 . . . . 74.32 108.418 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.5 mt -120.71 93.56 4.07 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 123.302 0.641 . . . . 74.43 109.463 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 CA--C 1.553 1.058 0 C-N-CA 124.429 1.092 . . . . 74.25 109.537 179.292 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.533 ' SD ' HD13 ' A' ' 6' ' ' LEU . 55.1 ttm . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 109.301 -0.629 . . . . 73.43 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 p -93.32 177.71 5.95 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.831 0.852 . . . . 72.1 108.895 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.92 68.18 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.302 0.376 . . . . 73.55 112.292 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.69 -58.24 8.19 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.521 1.128 . . . . 73.22 110.168 172.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -60.55 -36.64 78.94 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.572 0.545 . . . . 63.4 111.951 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.533 HD13 ' SD ' ' A' ' 1' ' ' MET . 36.3 tp -68.27 -46.03 71.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.42 -0.809 . . . . 75.41 110.557 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.478 ' HB2' HD13 ' A' ' 54' ' ' LEU . 75.0 ttt180 -64.12 -42.04 97.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.166 0.586 . . . . 75.44 110.891 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -67.93 -26.58 66.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.01 0.924 . . . . 64.04 111.263 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.12 -37.94 78.63 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.616 0.766 . . . . 70.21 110.105 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 36.2 mt -74.92 -36.16 62.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.727 0.811 . . . . 74.02 110.408 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.71 -35.11 65.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.807 0.843 . . . . 74.04 111.541 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.46 -34.65 74.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.943 -0.571 . . . . 73.0 110.39 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -85.08 -66.82 0.85 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.049 -0.523 . . . . 64.5 111.469 -173.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.402 ' HB2' ' HE2' ' A' ' 18' ' ' TYR . 5.3 m-90 -105.33 -16.89 14.63 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.257 0.623 . . . . 71.31 111.436 -170.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.96 69.5 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 116.247 -0.433 . . . . 71.13 113.876 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 97.0 m-85 -137.35 149.78 47.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.298 0.639 . . . . 75.03 109.559 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 m -88.76 90.97 8.63 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.343 -0.984 . . . . 63.23 108.343 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.8 m-85 -82.6 148.05 28.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.941 0.496 . . . . 73.44 111.285 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.87 110.49 9.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.519 -0.764 . . . . 71.11 109.35 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 HD21 ' A' ' 6' ' ' LEU . 30.1 m -102.68 129.8 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.495 -0.928 . . . . 54.22 108.495 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -143.33 143.57 31.73 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.203 0.601 . . . . 60.5 110.594 -174.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 29' ' ' ILE . 67.8 m-85 -74.3 146.81 42.86 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.525 0.73 . . . . 65.3 111.287 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -144.42 126.46 15.49 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.652 -0.87 . . . . 74.01 108.652 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -108.34 110.96 22.66 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.541 0.736 . . . . 63.14 109.188 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 t -137.26 137.65 39.25 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 123.091 0.557 . . . . 74.24 110.012 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 72.31 -13.0 0.66 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.651 1.581 . . . . 63.35 113.199 174.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.35 -12.43 7.52 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 123.094 0.378 . . . . 41.33 112.236 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -102.93 167.83 9.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.726 0.81 . . . . 64.13 111.984 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.4 tp -116.97 132.26 67.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.183 0.993 . . . . 74.23 109.789 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -131.02 126.98 37.36 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.328 1.051 . . . . 64.13 108.992 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.4 tp -91.49 100.47 13.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.026 -0.731 . . . . 73.45 109.026 173.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -87.83 113.08 23.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.224 0.535 . . . . 74.14 110.858 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.5 t -72.76 103.91 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.568 -1.196 . . . . 71.52 108.64 169.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.81 150.69 47.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.294 0.638 . . . . 71.01 110.309 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -70.18 -17.41 63.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.591 1.156 . . . . 72.42 110.923 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.49 102.36 3.2 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.661 0.784 . . . . 75.13 109.701 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -97.11 164.02 12.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.233 0.613 . . . . 73.32 110.439 173.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.7 tp -62.41 -23.4 66.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.405 0.682 . . . . 75.24 112.538 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.38 -10.38 59.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.767 0.427 . . . . 75.24 112.111 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 43' ' ' PHE . 84.3 mm-40 -64.33 127.37 31.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.033 0.533 . . . . 74.04 109.792 173.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.38 71.76 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.246 0.618 . . . . 70.1 110.441 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 t -98.31 28.36 4.14 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.788 0.835 . . . . 74.34 110.799 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.493 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t80 -73.7 129.83 84.59 Favored Pre-proline 0 CA--C 1.554 1.12 0 N-CA-C 109.042 -0.725 . . . . 73.15 109.042 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.21 -13.67 40.4 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 123.308 2.672 . . . . 61.43 114.343 -171.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 70.9 mtm -123.85 157.86 33.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.597 0.759 . . . . 75.53 110.431 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -100.2 176.11 5.5 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.741 -0.837 . . . . 71.31 108.741 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.41 -43.91 75.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.251 1.02 . . . . 62.54 113.075 -170.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.5 m -63.64 -61.79 2.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.624 0.77 . . . . 62.54 111.338 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -66.67 -27.7 67.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.129 0.572 . . . . 74.24 111.747 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.61 -43.11 73.4 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.075 0.55 . . . . 73.53 110.817 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -66.77 -41.86 87.03 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.961 -0.755 . . . . 64.42 108.961 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.05 -25.66 62.74 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.072 -0.967 . . . . 71.11 111.264 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -66.51 -43.71 84.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.522 0.729 . . . . 64.21 109.976 171.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 7' ' ' ARG . 88.3 mt -63.38 -39.44 94.52 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.005 0.522 . . . . 75.42 110.185 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.05 -33.12 73.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.1 -0.955 . . . . 65.23 110.874 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -67.39 -41.69 84.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.693 0.797 . . . . 63.12 110.617 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.409 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 53.2 t -66.3 -50.89 64.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.661 -0.699 . . . . 63.24 110.348 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -26.29 68.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.362 1.065 . . . . 44.53 112.036 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.32 -48.25 78.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.011 0.924 . . . . 73.44 110.361 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -71.03 -33.7 70.59 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.008 0.523 . . . . 75.45 111.612 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.96 -39.37 91.89 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.162 0.506 . . . . 72.1 110.111 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -68.65 -39.86 80.5 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.983 -1.008 . . . . 73.54 110.848 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.38 59.12 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.701 0.8 . . . . 44.42 112.895 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.1 mt -108.36 -14.79 14.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.134 0.574 . . . . 65.25 111.931 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.92 11.44 73.51 Favored Glycine 0 C--N 1.348 1.248 0 N-CA-C 112.33 -0.308 . . . . 63.3 112.33 -172.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.15 -4.41 90.24 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-O 119.496 -0.613 . . . . 55.14 113.305 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.63 83.45 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.256 0.528 . . . . 54.31 110.962 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.52 -35.02 64.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 O-C-N 124.203 0.939 . . . . 32.21 110.022 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 16.2 mm100 -64.5 -45.22 88.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.398 0.679 . . . . 71.12 111.491 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.26 -42.54 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 123.85 0.718 . . . . 75.24 110.918 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -59.78 -59.1 5.97 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.943 0.777 . . . . 62.35 110.732 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.8 m -60.67 -40.25 91.42 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.305 1.003 . . . . 71.15 111.332 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.74 -59.17 4.91 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.746 0.654 . . . . 64.44 110.329 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt -61.12 -36.91 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.769 0.828 . . . . 72.5 111.748 -176.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.0 m -72.78 -26.54 61.57 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.149 0.58 . . . . 74.04 111.865 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -95.91 -44.47 7.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.203 -0.311 . . . . 65.13 111.745 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.0 t -66.93 163.27 20.04 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.237 0.541 . . . . 61.31 111.216 -175.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -126.48 16.83 7.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.874 0.87 . . . . 72.33 110.203 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.54 137.87 38.86 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.788 0.835 . . . . 74.03 110.859 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.65 133.53 22.2 Favored Pre-proline 0 N--CA 1.469 0.5 0 C-N-CA 124.232 1.013 . . . . 71.11 109.353 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.79 119.69 6.7 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.079 1.853 . . . . 42.4 110.277 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.49 170.12 9.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.177 0.991 . . . . 74.13 109.184 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.35 94.73 0.12 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.992 0.517 . . . . 73.22 110.839 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.47 -29.14 8.89 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 111.743 -0.543 . . . . 71.44 111.743 -175.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -92.4 110.55 21.96 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 64.51 110.448 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.8 136.16 43.13 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.059 0.544 . . . . 75.42 109.711 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 89.7 t -78.23 89.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.567 -0.901 . . . . 64.52 108.567 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -78.78 100.59 7.19 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.283 -0.871 . . . . 75.3 108.893 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.1 108.42 11.48 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 124.122 0.969 . . . . 71.32 109.212 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.03 115.43 4.27 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.162 1.908 . . . . 45.42 110.525 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.503 ' HB2' HG23 ' A' ' 29' ' ' ILE . 63.4 mt -78.61 92.29 4.7 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.601 -0.889 . . . . 64.34 108.601 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.466 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 10.9 t70 -65.43 99.8 0.44 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.128 -0.942 . . . . 74.22 109.402 177.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.5 mt -114.66 69.89 0.72 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.314 -0.857 . . . . 72.14 109.099 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -106.36 -65.26 0.63 Allowed Glycine 0 N--CA 1.467 0.75 0 N-CA-C 108.986 -1.646 . . . . 72.04 108.986 167.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -67.61 -40.62 84.72 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.131 0.972 . . . . 71.45 109.369 171.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.579 ' HA ' ' HG2' ' A' ' 99' ' ' GLU . 37.7 mmt180 -77.67 -12.32 59.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.59 0.756 . . . . 64.35 112.424 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.21 -24.36 57.76 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.489 0.315 . . . . 72.32 110.631 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 t -87.54 -9.08 55.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.621 0.769 . . . . 43.42 111.909 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.579 ' HG2' ' HA ' ' A' ' 96' ' ' ARG . 11.8 mm-40 -55.49 -44.78 76.86 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.388 0.675 . . . . 63.52 111.454 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -87.31 -3.25 59.03 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.729 -0.669 . . . . 74.43 112.653 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.71 103.75 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.449 -0.945 . . . . 71.44 108.449 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.51 80.35 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 106.579 -1.637 . . . . 71.14 106.579 167.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -109.24 146.04 34.89 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.206 -0.906 . . . . 74.43 109.567 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 123.856 0.862 . . . . 52.21 109.179 -178.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . 53.4 ttp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.595 -0.15 . . . . 72.23 110.595 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p -77.68 171.25 15.22 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.274 1.03 . . . . 75.54 110.109 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.68 71.19 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 112.339 -0.304 . . . . 73.51 112.339 171.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.83 -57.38 12.89 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.998 0.919 . . . . 72.2 110.377 170.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.59 -36.73 79.24 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.745 0.818 . . . . 53.03 111.688 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 20' ' ' VAL . 53.3 tp -60.36 -45.88 91.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.85 0.86 . . . . 75.22 110.18 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.531 ' HB2' HD13 ' A' ' 54' ' ' LEU . 57.4 ttt180 -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.419 0.449 . . . . 73.44 110.362 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.03 -22.06 66.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.612 0.765 . . . . 74.42 112.006 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -74.47 -40.98 61.53 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.509 0.724 . . . . 62.41 109.585 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.8 mt -70.95 -32.39 69.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.824 0.849 . . . . 75.22 110.448 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.54 -34.99 30.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.142 0.977 . . . . 72.24 111.608 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.92 -40.37 75.59 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.892 0.477 . . . . 72.4 110.187 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.99 -63.73 1.35 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.16 -0.927 . . . . 74.43 111.649 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -104.76 -30.28 10.01 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.161 -0.472 . . . . 63.32 111.456 -171.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.13 21.12 46.93 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.35 -0.387 . . . . 74.31 113.308 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -133.0 138.59 46.88 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.801 0.84 . . . . 75.22 109.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.8 78.65 9.5 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.122 0.569 . . . . 65.43 109.795 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -75.13 149.77 38.96 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.229 0.612 . . . . 74.51 111.246 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 9.4 p-10 -84.63 131.18 34.63 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.096 -0.705 . . . . 70.44 109.096 169.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 6' ' ' LEU . 19.9 m -105.44 131.24 55.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 108.809 -0.812 . . . . 53.22 108.809 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -131.16 141.41 50.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.109 0.563 . . . . 73.14 110.193 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.2 m-85 -73.12 153.69 40.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.296 0.638 . . . . 72.31 111.161 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -143.08 104.1 4.25 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.667 -1.234 . . . . 63.22 107.667 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -103.31 94.48 5.53 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.994 -1.484 . . . . 71.4 106.994 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -128.11 139.23 52.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.794 -1.094 . . . . 74.55 108.652 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 65.33 9.28 5.56 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.055 1.342 . . . . 72.02 111.809 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.82 67.04 Favored Glycine 0 C--N 1.353 1.523 0 C-N-CA 123.49 0.567 . . . . 71.02 112.82 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -100.21 139.43 35.89 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.306 0.642 . . . . 75.2 110.117 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -100.52 129.92 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.347 0.594 . . . . 63.01 109.596 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -128.51 130.63 47.74 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.651 1.18 . . . . 53.45 108.547 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 61' ' ' LEU . 42.1 tp -91.53 99.59 12.5 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.011 -0.737 . . . . 75.31 109.011 171.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.81 106.57 18.46 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 122.964 0.505 . . . . 73.43 110.672 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 39.4 t -71.26 111.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.01 0.924 . . . . 75.42 108.889 173.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.2 mmt -67.59 161.24 26.1 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.238 0.542 . . . . 72.35 111.555 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.498 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.1 p90 -83.3 -10.24 58.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.658 -1.155 . . . . 74.04 110.875 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -89.17 142.04 27.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.206 0.602 . . . . 72.43 109.739 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -135.46 156.69 48.5 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.126 0.97 . . . . 64.02 109.537 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.55 -31.15 63.89 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.968 0.907 . . . . 74.21 112.761 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.71 -14.11 57.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.558 0.947 . . . . 64.15 113.558 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -75.28 140.25 43.03 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 110.062 -0.347 . . . . 55.35 110.062 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.11 -17.99 56.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.113 0.565 . . . . 71.33 110.446 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 t -77.32 -15.58 59.34 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.133 0.973 . . . . 63.33 111.224 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 5.5 t80 -67.27 124.79 89.88 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 124.123 0.969 . . . . 74.1 108.962 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -88.88 7.92 4.12 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.67 2.247 . . . . 71.21 113.377 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.1 mtp -113.82 132.15 55.98 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.1 0.96 . . . . 63.51 109.213 -173.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -74.2 176.39 6.66 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.741 0.816 . . . . 54.32 111.075 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -58.62 -67.37 0.37 Allowed 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 124.218 1.007 . . . . 74.02 112.635 -176.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 m -65.57 -34.74 78.96 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.0 0.92 . . . . 71.11 110.688 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.61 -33.5 75.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.607 0.763 . . . . 73.5 111.56 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.72 -41.14 96.19 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.887 0.475 . . . . 72.23 110.309 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -66.95 -36.05 81.35 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 109.591 -0.522 . . . . 71.52 109.591 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.11 -37.42 85.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.314 0.646 . . . . 72.53 111.437 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.33 -46.95 86.4 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.956 -0.565 . . . . 63.34 110.329 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 7' ' ' ARG . 93.6 mt -62.73 -45.41 92.84 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.798 0.686 . . . . 65.44 111.25 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.62 -38.78 92.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.924 -1.035 . . . . 74.52 110.698 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.1 t -65.12 -47.45 77.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.84 0.713 . . . . 73.42 110.678 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG11 HG23 ' A' ' 20' ' ' VAL . 67.1 t -63.33 -51.85 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.466 -0.788 . . . . 72.23 111.001 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.531 ' HB2' HD22 ' A' ' 6' ' ' LEU . . . -65.63 -26.46 67.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.437 0.695 . . . . 64.13 112.337 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -65.94 -42.52 89.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.238 0.615 . . . . 73.35 109.649 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.12 -44.39 88.88 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.617 0.573 . . . . 73.25 111.26 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.6 mt -59.02 -39.17 81.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.376 0.671 . . . . 73.44 110.779 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.85 -31.73 57.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.659 0.783 . . . . 74.2 111.068 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.67 73.97 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.602 0.761 . . . . 21.31 111.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.2 mt -95.37 -23.31 17.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.953 0.901 . . . . 64.12 110.945 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.49 6.57 64.15 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 116.584 -0.28 . . . . 72.05 113.065 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -85.47 0.91 88.51 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 119.471 -0.627 . . . . 62.21 113.72 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -66.19 -39.94 90.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 117.507 0.653 . . . . 52.11 111.637 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.04 -38.93 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.035 -0.984 . . . . 72.14 109.83 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -59.52 -40.47 87.23 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.572 0.749 . . . . 63.31 111.267 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' HG21 ' A' ' 89' ' ' ILE . 85.3 t -65.56 -50.65 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.737 0.815 . . . . 72.42 110.722 177.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 51.7 mtpt -63.54 -33.29 75.27 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.481 0.712 . . . . 72.22 111.967 -177.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -77.5 -44.53 28.47 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.595 0.758 . . . . 70.25 110.839 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.429 ' CD2' HG12 ' A' ' 89' ' ' ILE . 59.9 t80 -65.45 -50.24 66.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.348 0.659 . . . . 73.53 110.861 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.01 -35.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.606 0.763 . . . . 70.35 111.294 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.2 m -68.7 -48.31 64.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.636 0.374 . . . . 74.33 111.09 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.21 -36.74 80.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.531 0.567 . . . . 73.14 112.531 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.4 t -75.38 158.48 32.68 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.937 0.399 . . . . 73.03 110.525 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -121.44 5.51 10.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.101 0.96 . . . . 60.42 109.124 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.5 147.74 47.46 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.875 0.87 . . . . 73.33 110.125 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 51.8 mtt180 -118.12 143.18 32.36 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-N 114.78 -1.1 . . . . 63.0 109.049 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.498 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 23.8 Cg_exo -62.74 116.73 3.72 Favored 'Trans proline' 0 C--N 1.372 1.802 0 C-N-CA 122.162 1.908 . . . . 55.05 110.501 173.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.594 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 20.1 tpt180 -118.36 160.93 20.8 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.137 0.975 . . . . 74.42 108.856 -171.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.8 tp -57.07 94.88 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.678 0.791 . . . . 64.5 111.627 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.76 -33.12 6.38 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.403 -0.817 . . . . 65.34 111.869 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.594 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 54.9 tttm -89.74 106.41 18.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.7 0.8 . . . . 71.02 110.739 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 152.05 25.03 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.639 -0.504 . . . . 54.53 109.639 169.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.9 t -85.87 89.39 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 107.609 -1.256 . . . . 71.33 107.609 171.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -80.73 106.32 12.65 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.507 -0.769 . . . . 71.34 109.462 -174.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' VAL . 66.9 mt -92.32 109.3 37.1 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 124.563 1.145 . . . . 75.32 109.529 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.83 113.94 3.17 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 121.856 1.704 . . . . 74.02 110.214 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.513 ' HB2' HG23 ' A' ' 29' ' ' ILE . 79.0 mt -82.6 93.37 7.31 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.786 -0.82 . . . . 73.52 108.786 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -73.05 102.19 3.46 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.257 -1.016 . . . . 73.23 108.257 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.0 mt -105.45 21.05 17.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.573 0.749 . . . . 73.14 109.989 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.17 -58.01 9.57 Favored Glycine 0 C--N 1.351 1.39 0 N-CA-C 112.337 -0.305 . . . . 44.04 112.337 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.35 -33.67 55.33 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.152 0.581 . . . . 75.3 110.043 177.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -68.74 -29.72 68.19 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.53 0.732 . . . . 73.33 112.179 -175.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.492 ' HA ' ' HE1' ' A' ' 100' ' ' TRP . . . -78.58 -32.62 47.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.036 0.446 . . . . 70.4 110.446 172.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.9 t -72.55 -28.86 63.09 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.732 -0.667 . . . . 75.1 112.341 -171.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.41 -47.19 86.9 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.88 0.472 . . . . 64.14 111.967 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.492 ' HE1' ' HA ' ' A' ' 97' ' ' ALA . 59.1 p-90 -82.64 -7.4 59.65 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 111.876 0.324 . . . . 71.13 111.876 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.43 HD13 ' O ' ' A' ' 97' ' ' ALA . 1.3 mp -72.58 -25.61 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 123.755 0.822 . . . . 72.34 110.357 170.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.4 mm 67.27 100.31 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 124.813 1.245 . . . . 70.44 110.63 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.06 -17.53 56.89 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.219 0.608 . . . . 64.04 111.511 -177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.551 0.994 0 C-N-CA 124.365 1.066 . . . . 75.21 110.125 -175.306 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttm . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.78 -0.452 . . . . 64.42 109.78 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -90.43 -178.24 5.29 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 124.069 0.948 . . . . 74.44 109.936 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.4 -26.41 71.75 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.421 0.451 . . . . 64.23 112.077 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.17 -53.44 30.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.406 1.083 . . . . 72.34 109.802 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -59.5 -43.53 93.33 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.921 0.889 . . . . 74.41 111.743 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 20' ' ' VAL . 32.0 tp -67.36 -42.37 83.58 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.998 0.811 . . . . 63.4 110.343 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HB2' HD13 ' A' ' 54' ' ' LEU . 42.8 ttt180 -58.6 -48.29 81.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.915 0.886 . . . . 75.41 110.342 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -67.54 -25.18 65.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.301 1.04 . . . . 73.12 111.812 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 tp -71.65 -42.45 67.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.885 0.474 . . . . 73.41 109.742 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 47.4 mt -69.37 -32.26 71.18 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.353 0.661 . . . . 70.41 110.939 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -80.4 -41.28 24.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.919 0.888 . . . . 73.53 111.431 -177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.6 -35.71 75.54 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.398 0.679 . . . . 75.45 110.86 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -83.08 -65.77 0.97 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.859 -0.61 . . . . 55.14 111.761 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.505 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.7 m-90 -104.81 -19.25 13.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.421 0.526 . . . . 75.02 112.421 -170.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 14.02 64.06 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 114.635 0.614 . . . . 72.33 114.635 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -141.58 151.31 43.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.245 0.618 . . . . 62.42 110.009 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 p -89.03 79.22 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.179 0.992 . . . . 71.44 110.649 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -77.15 151.74 35.17 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.368 0.507 . . . . 70.33 112.368 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.26 145.66 47.76 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.439 -0.949 . . . . 72.43 108.439 168.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.607 HG21 HD21 ' A' ' 6' ' ' LEU . 7.3 m -133.1 126.29 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.481 0.712 . . . . 72.52 109.143 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.13 140.33 51.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.247 0.619 . . . . 61.51 110.412 -175.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' HB3' HD11 ' A' ' 29' ' ' ILE . 68.4 m-85 -74.95 149.2 39.45 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.763 0.825 . . . . 74.42 110.538 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -142.02 113.36 7.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.273 0.629 . . . . 55.2 109.556 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -101.94 105.3 16.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.85 0.86 . . . . 61.31 110.012 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 t -143.82 136.06 26.76 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.446 0.698 . . . . 74.22 109.77 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 63.01 26.18 15.37 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.201 1.4 . . . . 75.12 111.683 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.31 88.97 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 115.657 -0.701 . . . . 74.22 113.289 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -99.99 169.33 9.27 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.259 1.024 . . . . 71.14 109.554 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.64 HG23 ' HB2' ' A' ' 91' ' ' LEU . 6.3 tp -130.87 131.3 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 115.35 -0.841 . . . . 55.14 109.245 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -127.95 127.19 42.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.591 1.156 . . . . 70.51 108.892 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.72 97.94 11.32 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.379 -0.971 . . . . 65.25 108.379 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -86.2 107.49 17.92 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.6 0.76 . . . . 71.11 110.168 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.427 HG22 HG12 ' A' ' 20' ' ' VAL . 28.8 t -77.47 112.79 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.16 -0.927 . . . . 72.44 109.073 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -67.58 155.37 39.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.423 1.089 . . . . 63.44 111.748 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.401 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 21.7 p90 -76.0 -17.1 59.83 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.034 1.333 . . . . 73.41 111.253 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.7 135.52 34.54 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.397 0.679 . . . . 75.23 110.111 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.87 156.6 45.8 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.4 1.08 . . . . 75.1 109.649 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.71 -21.36 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.012 0.925 . . . . 42.14 112.191 -171.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.99 -14.28 62.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.163 0.585 . . . . 72.12 112.107 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -81.3 131.75 35.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.82 0.848 . . . . 64.34 108.955 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.91 66.67 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.265 0.626 . . . . 34.21 111.271 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -93.39 19.67 8.04 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.059 0.943 . . . . 75.5 111.677 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -73.89 129.94 84.05 Favored Pre-proline 0 CA--C 1.558 1.271 0 N-CA-C 108.815 -0.809 . . . . 73.14 108.815 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.1 -34.74 68.41 Favored 'Trans proline' 0 C--N 1.385 2.46 0 C-N-CA 123.055 2.503 . . . . 73.22 113.733 -170.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.6 mtm -101.0 143.43 31.15 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.563 0.745 . . . . 74.51 109.689 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -77.39 174.42 10.84 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.944 -0.391 . . . . 74.44 109.944 172.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.39 -40.82 79.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.357 0.663 . . . . 74.23 112.457 -173.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.9 m -64.92 -51.59 61.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.345 0.658 . . . . 65.21 110.208 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.95 -39.57 92.57 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.167 0.987 . . . . 55.13 111.778 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.38 -40.37 81.4 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.144 0.902 . . . . 73.41 110.912 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -67.66 -41.54 83.62 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.092 -0.707 . . . . 73.02 109.092 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.94 -34.71 78.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.941 0.896 . . . . 62.41 110.732 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.54 -42.75 82.2 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.715 0.806 . . . . 64.21 110.006 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 7' ' ' ARG . 82.9 mt -59.86 -44.13 94.3 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.919 0.762 . . . . 73.32 110.302 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.74 -31.57 66.82 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.285 0.991 . . . . 70.12 110.752 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -70.58 -43.33 69.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.624 0.77 . . . . 73.21 110.738 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 20' ' ' VAL . 42.2 t -63.12 -50.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 C-N-CA 123.747 0.819 . . . . 54.32 109.886 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.64 -20.86 63.59 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.359 1.064 . . . . 75.02 111.948 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -67.1 -44.29 80.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.682 0.793 . . . . 73.24 109.708 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -70.73 -36.21 73.08 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.693 -0.685 . . . . 75.5 111.141 176.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -38.31 87.54 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.764 -0.458 . . . . 70.55 109.764 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.6 -54.13 32.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.486 0.714 . . . . 72.24 110.499 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.5 99.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.075 0.95 . . . . 61.55 112.13 -170.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 93' ' ' LEU . 79.3 mt -85.27 -22.96 28.38 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.551 0.74 . . . . 70.25 111.773 -175.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.48 13.67 61.12 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.879 -0.488 . . . . 44.33 111.879 -171.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.13 -9.62 86.88 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-O 119.361 -0.688 . . . . 73.23 113.527 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.7 95.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.732 0.813 . . . . 73.42 110.652 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.04 -36.94 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 O-C-N 124.337 1.023 . . . . 55.23 110.269 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.37 0.668 . . . . 73.55 111.338 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 66' ' ' GLY . 90.2 t -66.03 -48.86 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.561 0.744 . . . . 75.12 110.217 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -58.29 -52.64 64.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.003 0.921 . . . . 60.31 111.584 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.1 m -61.42 -44.1 97.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.904 0.882 . . . . 35.01 111.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -66.5 -49.5 66.35 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.576 0.548 . . . . 74.31 110.415 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.84 -30.33 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.082 0.953 . . . . 74.14 111.143 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.2 m -67.42 -45.35 76.38 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 109.861 -0.422 . . . . 62.33 109.861 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.57 -63.72 1.02 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.042 0.537 . . . . 73.52 111.581 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 t -68.23 135.31 51.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.109 0.564 . . . . 64.22 110.197 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -114.47 19.84 15.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.994 0.918 . . . . 72.4 109.563 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.22 134.15 42.7 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.88 -1.055 . . . . 73.22 109.99 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.505 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 74.9 mtt-85 -101.35 141.19 22.11 Favored Pre-proline 0 C--O 1.241 0.634 0 CA-C-N 115.232 -0.894 . . . . 73.31 109.964 -177.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 47.1 Cg_exo -55.55 117.95 4.64 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.825 2.35 . . . . 72.45 111.368 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -112.01 152.69 27.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 74.04 109.793 -168.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.69 116.0 3.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.914 0.486 . . . . 75.33 110.136 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 -33.0 5.43 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.93 -0.577 . . . . 61.01 112.698 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.63 113.89 26.25 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.64 0.776 . . . . 75.23 111.348 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.23 152.7 22.09 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 65.15 110.922 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.1 t -81.42 91.57 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.49 -0.929 . . . . 71.44 108.49 172.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -78.09 103.11 7.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.219 -0.9 . . . . 74.22 109.19 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.405 HG21 ' HA ' ' A' ' 70' ' ' VAL . 71.7 mt -88.19 107.78 18.22 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.051 0.94 . . . . 75.02 109.984 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.06 113.37 3.4 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.093 1.862 . . . . 63.33 110.476 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.64 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.0 mt -87.15 99.93 12.29 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.227 -1.027 . . . . 64.35 108.227 177.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.85 86.92 2.83 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.561 -0.745 . . . . 74.22 109.35 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 64' ' ' LEU . 62.3 mt -103.89 71.87 1.07 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.773 0.829 . . . . 73.35 109.002 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.18 -79.23 0.86 Allowed Glycine 0 C--N 1.337 0.62 0 CA-C-N 114.888 -1.051 . . . . 72.02 110.869 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.25 -39.11 65.69 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.387 0.675 . . . . 75.34 110.272 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -54.99 -43.5 73.61 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.684 0.794 . . . . 61.01 110.057 174.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.483 ' HA ' ' NE1' ' A' ' 100' ' ' TRP . . . -64.88 -45.53 85.61 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.907 -1.042 . . . . 75.13 110.692 175.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.1 t -65.36 -26.58 68.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.252 0.621 . . . . 72.04 112.518 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.31 -37.34 80.49 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.355 0.662 . . . . 62.32 112.096 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.483 ' NE1' ' HA ' ' A' ' 97' ' ' ALA . 39.2 p-90 -94.1 -11.08 31.34 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 118.218 0.463 . . . . 70.11 111.677 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 97' ' ' ALA . 1.6 mp -78.77 -36.85 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 123.19 0.596 . . . . 60.42 109.502 169.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.4 mm 61.43 84.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.701 1.201 . . . . 75.42 110.592 -175.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.17 163.83 21.67 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.294 0.638 . . . . 70.45 109.466 168.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 CA--C 1.557 1.218 0 C-N-CA 123.238 0.615 . . . . 55.41 110.993 -179.671 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.551 ' SD ' ' HB2' ' A' ' 6' ' ' LEU . 47.6 ttm . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.608 -0.145 . . . . 75.42 110.608 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -106.54 169.09 8.73 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.743 1.217 . . . . 71.2 109.425 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.75 -21.08 62.65 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 120.034 -0.315 . . . . 71.32 112.449 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.1 -55.91 10.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.354 1.061 . . . . 75.2 110.088 172.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.72 -40.66 97.9 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.483 1.115 . . . . 70.24 111.351 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 32.0 tp -67.89 -43.38 79.43 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.08 0.863 . . . . 60.1 110.816 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -58.75 -52.49 65.46 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.301 0.64 . . . . 72.54 110.332 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.65 -19.68 63.61 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 114.594 -1.184 . . . . 71.5 112.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 71' ' ' LYS . 24.2 tp -73.33 -24.0 60.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.356 0.525 . . . . 61.5 110.458 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.8 mt -90.45 -35.43 15.14 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.857 0.863 . . . . 74.23 109.988 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.87 -61.03 2.02 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.758 0.823 . . . . 60.3 111.307 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -45.46 -43.68 11.68 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.237 1.015 . . . . 71.52 112.376 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -75.97 -63.12 1.38 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.95 0.9 . . . . 64.3 112.229 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.606 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 6.6 m0 -107.44 -23.09 12.32 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 112.661 0.615 . . . . 75.05 112.661 -167.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.89 -3.68 57.35 Favored Glycine 0 N--CA 1.473 1.149 0 N-CA-C 114.105 0.402 . . . . 43.33 114.105 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -127.17 149.07 50.14 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.019 0.527 . . . . 65.42 110.537 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -85.97 67.33 9.97 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.392 1.077 . . . . 63.42 110.35 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.54 152.31 45.5 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.264 -0.426 . . . . 74.13 111.177 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.84 136.38 33.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.692 -0.855 . . . . 74.21 108.692 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 HD21 ' A' ' 6' ' ' LEU . 30.4 m -105.52 139.62 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.699 -0.852 . . . . 64.42 108.699 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -132.7 136.44 46.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.673 0.389 . . . . 73.42 110.836 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.3 119.07 13.01 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.825 0.85 . . . . 75.3 110.192 174.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -103.41 104.24 14.31 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.123 0.969 . . . . 64.12 108.567 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -101.37 103.82 14.78 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.872 -1.158 . . . . 61.31 107.872 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -145.87 132.94 20.33 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.08 0.552 . . . . 53.05 110.889 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 60.07 33.71 21.27 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.042 1.337 . . . . 73.11 112.28 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.87 7.54 86.35 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.76 -0.655 . . . . 54.3 113.367 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -113.68 158.37 20.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.234 1.014 . . . . 62.32 109.866 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 tp -126.75 130.01 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.478 0.711 . . . . 55.1 110.215 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.69 125.26 29.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 74.1 107.908 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -89.07 97.81 11.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.053 -1.091 . . . . 71.15 108.053 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -86.52 106.71 17.71 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.214 -0.448 . . . . 71.4 109.875 -176.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 HG12 ' A' ' 20' ' ' VAL . 37.0 t -66.81 104.92 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.801 0 N-CA-C 107.895 -1.15 . . . . 52.5 107.895 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mmm -69.5 161.3 29.78 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.481 0.658 . . . . 73.24 111.462 -174.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -78.69 4.7 12.95 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.504 -1.226 . . . . 74.21 113.022 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -110.96 150.49 29.16 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.211 1.004 . . . . 71.35 109.32 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' HB2' ' A' ' 39' ' ' GLU . 6.7 p90 -137.29 162.25 34.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.244 0.617 . . . . 72.05 110.394 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 50' ' ' TYR . 42.5 tp -67.83 -21.62 65.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.618 0.767 . . . . 63.12 111.459 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 5.6 mm-40 -64.68 -18.6 65.13 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.236 0.615 . . . . 55.02 111.164 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -70.06 126.41 29.6 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.159 0.584 . . . . 65.25 109.926 171.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.36 -23.93 61.99 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.942 0.497 . . . . 65.31 110.467 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -79.0 2.66 19.67 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.131 0.972 . . . . 62.53 111.983 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.76 119.5 74.58 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.518 0.727 . . . . 62.31 109.259 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.93 0.71 9.77 Favored 'Trans proline' 0 C--N 1.384 2.408 0 C-N-CA 122.923 2.415 . . . . 73.14 113.502 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtp -106.74 135.66 47.9 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.21 1.004 . . . . 70.22 108.894 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.8 m-20 -70.1 171.67 9.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.984 0.513 . . . . 45.42 110.163 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.1 -40.02 96.41 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.112 0.565 . . . . 71.43 110.843 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -63.76 -44.81 92.34 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 123.708 0.63 . . . . 72.42 109.779 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.9 mm-40 -60.98 -39.07 88.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.361 0.665 . . . . 64.41 111.007 -178.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 53.3 t80 -63.22 -49.86 72.53 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.254 0.971 . . . . 74.21 110.789 177.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.81 -39.34 83.99 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.602 0.564 . . . . 71.43 111.279 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -73.57 -24.3 60.07 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.143 0.577 . . . . 75.4 111.042 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 57' ' ' VAL . 61.1 t60 -67.51 -46.69 72.16 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.549 -0.908 . . . . 72.21 108.549 173.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 82.8 mt -64.46 -37.05 86.18 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.999 0.812 . . . . 70.44 111.256 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.08 -40.47 78.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 123.769 0.668 . . . . 74.13 109.531 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 t -71.08 -37.23 72.45 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.375 -0.829 . . . . 74.12 111.127 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 41.0 t -63.59 -51.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 C-N-CA 123.31 0.644 . . . . 62.01 109.354 175.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.03 -28.33 69.51 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.247 1.019 . . . . 65.12 111.967 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.44 -47.56 69.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.645 0.778 . . . . 53.53 109.699 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.49 -40.03 96.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.08 0.552 . . . . 72.24 110.964 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 96.2 mt -62.96 -32.85 74.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.332 0.653 . . . . 74.13 110.82 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -71.85 -41.61 67.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.607 0.763 . . . . 75.03 110.773 173.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.54 74.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.589 0.756 . . . . 65.32 111.818 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.43 -24.94 17.12 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.703 0.801 . . . . 53.33 111.21 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.92 20.48 50.03 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 116.143 -0.48 . . . . 53.02 112.735 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -94.84 3.01 67.19 Favored Glycine 0 C--N 1.347 1.161 0 CA-C-O 119.553 -0.582 . . . . 43.43 113.547 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.59 43.79 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 117.407 0.604 . . . . 61.32 111.697 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -65.61 -28.3 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-N 115.726 -0.67 . . . . 71.34 109.959 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -62.99 -44.95 94.62 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.237 0.615 . . . . 64.24 111.12 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.579 ' HA ' HG21 ' A' ' 89' ' ' ILE . 94.4 t -63.71 -49.89 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.568 0.747 . . . . 71.41 110.731 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' HD21 ' A' ' 9' ' ' LEU . 49.5 mtpt -62.53 -45.69 91.81 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 123.763 0.664 . . . . 71.12 111.522 -176.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 94.5 m -64.43 -44.67 90.44 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.877 0.736 . . . . 74.13 110.877 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -61.93 -47.43 84.92 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.574 0.546 . . . . 74.43 110.543 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -67.01 -29.22 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.684 0.794 . . . . 54.51 111.229 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.5 m -67.63 -39.04 84.66 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.671 0.272 . . . . 73.11 110.53 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -77.98 -63.22 1.44 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 64.24 111.167 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 t -62.35 137.34 58.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.337 0.655 . . . . 74.03 110.267 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -113.14 14.5 19.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.488 0.715 . . . . 70.04 109.835 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.48 149.1 40.47 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.483 1.113 . . . . 73.11 110.18 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.606 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 83.7 mtt180 -116.28 145.51 35.22 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 123.7 0.8 . . . . 75.41 111.449 -177.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.01 122.26 9.13 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.176 2.584 . . . . 74.03 110.959 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -139.18 148.61 43.39 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.993 -1.114 . . . . 65.14 107.993 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.3 tp -47.19 118.42 2.13 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 124.077 0.951 . . . . 64.41 113.308 -168.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.69 -13.34 67.7 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.303 0.478 . . . . 71.32 113.928 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -126.31 104.72 8.35 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.234 1.413 . . . . 72.41 110.436 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.99 143.28 28.0 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.488 0.715 . . . . 71.42 110.872 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.82 90.87 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.574 -0.899 . . . . 61.11 108.574 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.8 t -79.29 107.89 12.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.079 -0.964 . . . . 74.23 109.601 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.579 HG21 ' HA ' ' A' ' 70' ' ' VAL . 73.9 mt -90.31 107.48 20.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.56 0.744 . . . . 65.2 110.127 -177.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.82 115.0 3.54 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.457 2.105 . . . . 72.23 110.68 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.22 107.33 18.44 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.996 -0.742 . . . . 71.23 108.996 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 95.78 1.66 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.162 -1.051 . . . . 72.52 108.162 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt -106.73 17.58 23.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.23 -1.026 . . . . 63.32 108.23 168.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.29 -50.34 39.56 Favored Glycine 0 C--N 1.352 1.433 0 N-CA-C 110.859 -0.896 . . . . 74.14 110.859 174.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -97.32 -39.47 9.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.321 0.648 . . . . 73.13 111.509 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -73.96 -12.67 60.71 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 113.643 0.979 . . . . 72.13 113.643 -171.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.432 ' HB1' HD13 ' A' ' 101' ' ' ILE . . . -74.12 -17.06 60.99 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.039 0.381 . . . . 72.23 111.811 177.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.9 t -68.81 -9.58 51.92 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 112.768 0.655 . . . . 72.42 112.768 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.37 -42.34 71.89 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.519 0.328 . . . . 74.23 110.526 173.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -103.66 -17.96 14.92 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.221 0.608 . . . . 72.12 111.91 -174.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.432 HD13 ' HB1' ' A' ' 97' ' ' ALA . 1.6 mp -72.5 100.13 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 106.534 -1.654 . . . . 73.1 106.534 166.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 49.2 mm -121.97 93.9 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.294 -1.373 . . . . 73.01 107.294 173.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.69 104.17 15.84 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.765 0.826 . . . . 75.51 110.021 -177.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 123.59 0.756 . . . . 74.31 109.665 178.641 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 ttm . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.003 -0.369 . . . . 74.4 110.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.0 p -87.16 173.52 9.18 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.0 -0.741 . . . . 75.24 109.0 168.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.53 -27.59 71.12 Favored Glycine 0 C--N 1.345 1.036 0 C-N-CA 121.713 -0.279 . . . . 64.04 112.631 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 35.2 tt0 -64.07 -51.66 63.0 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.543 0.737 . . . . 75.43 109.842 171.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -65.06 -33.54 76.28 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.592 0.757 . . . . 62.32 112.011 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.476 HD21 HG21 ' A' ' 20' ' ' VAL . 59.7 tp -64.18 -42.26 96.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 109.615 -0.513 . . . . 61.1 109.615 174.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' HB2' HD13 ' A' ' 54' ' ' LEU . 72.2 ttt180 -65.55 -40.57 93.01 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.241 0.616 . . . . 74.32 110.724 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 14.8 mm100 -64.48 -34.42 78.17 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.018 0.527 . . . . 62.23 110.221 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.86 -34.03 77.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.026 0.93 . . . . 74.33 110.49 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.1 mt -77.91 -34.89 51.19 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.848 0.859 . . . . 54.1 110.066 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -27.35 60.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.124 0.97 . . . . 63.24 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.8 -39.95 25.84 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.909 0.484 . . . . 75.33 110.5 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -77.88 -55.24 5.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.853 -0.612 . . . . 73.54 111.474 -173.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -114.06 -15.75 12.23 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 74.14 112.035 -171.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.73 18.57 75.11 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 123.368 0.418 . . . . 70.33 113.33 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.61 142.93 29.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.97 0.908 . . . . 71.54 109.105 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -88.94 102.13 14.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.658 0.783 . . . . 64.41 109.834 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.52 148.08 23.61 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.622 0.769 . . . . 71.24 111.511 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -61.71 146.25 49.82 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.287 -0.869 . . . . 70.54 109.224 165.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG23 HG21 ' A' ' 57' ' ' VAL . 15.3 m -138.7 127.32 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 108.741 -0.837 . . . . 61.32 108.741 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -119.1 149.68 41.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.118 0.567 . . . . 75.24 110.934 -175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' HB3' HD11 ' A' ' 29' ' ' ILE . 56.5 m-85 -91.78 148.48 22.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 74.51 110.379 171.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -141.38 128.51 20.87 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.204 -0.665 . . . . 73.1 109.204 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -111.46 101.5 9.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.818 0.847 . . . . 73.41 109.499 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -145.44 141.28 28.24 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.28 0.632 . . . . 73.22 109.979 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 68.36 21.1 8.45 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.956 1.303 . . . . 73.33 110.811 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.29 -3.43 84.69 Favored Glycine 0 C--N 1.36 1.899 0 CA-C-N 115.728 -0.669 . . . . 54.43 113.345 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -103.2 160.91 14.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.154 0.982 . . . . 72.45 111.183 -172.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.577 HD11 ' HB3' ' A' ' 22' ' ' PHE . 8.9 tp -119.03 129.73 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.946 0.898 . . . . 71.34 109.455 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -125.49 121.77 34.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.31 1.044 . . . . 72.24 109.447 -175.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.3 tp -91.17 96.63 10.68 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.73 -0.841 . . . . 64.44 108.73 170.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -88.38 107.56 18.91 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.837 0.855 . . . . 74.22 110.401 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 58.3 t -68.44 115.5 6.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.518 0.727 . . . . 72.35 109.372 174.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.2 mmt -77.16 150.92 35.49 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.276 1.03 . . . . 71.33 111.806 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 20.0 p90 -67.15 -21.07 65.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.562 1.545 . . . . 55.31 111.597 172.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.3 116.31 10.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.396 0.678 . . . . 63.23 110.176 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -106.37 157.13 17.84 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.961 0.905 . . . . 73.22 108.838 169.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.29 -25.65 65.9 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.125 0.891 . . . . 63.33 112.857 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -77.95 13.71 1.32 Allowed 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.063 0.764 . . . . 75.2 113.063 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -103.23 142.05 34.84 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.591 0.756 . . . . 74.4 110.231 168.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -16.22 59.57 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.986 0.915 . . . . 63.22 110.87 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 m -83.59 0.84 45.0 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.858 0.863 . . . . 72.02 112.102 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -62.93 130.79 94.3 Favored Pre-proline 0 CA--C 1.559 1.319 0 C-N-CA 123.508 0.723 . . . . 71.32 110.429 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.59 -11.28 30.72 Favored 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 123.279 2.653 . . . . 61.31 113.755 -169.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.472 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 57.8 mtm -126.35 166.51 17.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.168 0.987 . . . . 75.23 110.062 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.534 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 90.9 m-20 -79.6 176.3 9.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.336 -0.847 . . . . 73.43 109.411 168.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.28 -40.59 86.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.371 0.668 . . . . 60.4 111.626 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -63.4 -50.75 68.62 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.537 -0.756 . . . . 70.25 109.702 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.5 mm-40 -65.36 -28.02 68.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.582 0.753 . . . . 70.01 111.667 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.427 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 21.4 t80 -68.57 -49.29 60.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.498 0.719 . . . . 72.53 110.446 174.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -70.7 -30.57 67.17 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.163 -0.471 . . . . 75.41 109.963 -175.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.2 -39.44 78.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.433 0.693 . . . . 71.34 110.653 171.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -62.84 -34.16 76.75 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.013 0.925 . . . . 75.34 111.051 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 7' ' ' ARG . 97.6 mt -69.93 -39.35 76.18 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.364 0.666 . . . . 64.25 110.536 178.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.26 -30.36 63.4 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.482 -0.781 . . . . 74.11 109.994 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -64.39 -44.16 92.18 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.437 1.095 . . . . 71.34 110.635 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 20' ' ' VAL . 40.4 t -67.8 -46.93 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 115.531 -0.759 . . . . 73.41 110.58 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -26.19 68.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.97 0.908 . . . . 72.14 111.655 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -65.25 -45.65 83.72 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.104 0.961 . . . . 73.41 110.091 173.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -68.25 -31.98 71.84 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.066 -0.516 . . . . 71.0 111.575 174.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 73.0 mt -67.18 -30.3 70.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 122.672 0.389 . . . . 63.14 111.014 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -79.51 -42.24 25.65 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.393 0.277 . . . . 74.03 110.404 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.6 95.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.874 0.87 . . . . 43.35 111.867 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -87.1 -21.78 25.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.972 -1.013 . . . . 73.0 111.124 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.7 16.13 73.87 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.827 -0.509 . . . . 72.13 111.827 -169.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.73 -3.44 89.08 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 119.118 -0.823 . . . . 61.41 114.016 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.15 87.66 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 117.573 0.686 . . . . 64.13 111.136 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.79 -33.17 61.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 114.907 -1.042 . . . . 50.33 110.046 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -70.05 -35.13 74.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.248 0.619 . . . . 73.43 111.137 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.539 ' HA ' HG21 ' A' ' 89' ' ' ILE . 77.8 t -68.72 -47.96 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.457 0.703 . . . . 72.2 110.245 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.2 -44.6 97.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.659 0.784 . . . . 74.31 111.602 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.5 m -69.22 -41.82 76.54 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.345 0.658 . . . . 62.24 111.195 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.39 -50.52 67.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.162 -0.472 . . . . 73.42 109.851 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.438 ' HA ' HG22 ' A' ' 77' ' ' THR . 12.4 mt -63.24 -35.45 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.909 0.884 . . . . 74.24 111.673 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.8 m -60.96 -53.45 57.06 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.168 0.508 . . . . 52.02 110.748 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.53 -32.3 42.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.279 -0.873 . . . . 65.5 112.52 -170.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 74' ' ' ILE . 9.3 t -70.44 145.71 50.82 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.813 -0.439 . . . . 73.3 109.813 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -108.92 0.18 20.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.807 0.843 . . . . 74.1 109.623 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.46 152.4 36.17 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.776 0.83 . . . . 60.52 112.667 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 97.2 mtt180 -123.0 148.94 55.6 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-N 114.184 -1.371 . . . . 71.21 109.583 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 37.1 Cg_endo -64.37 122.73 10.76 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.611 2.207 . . . . 71.33 110.332 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.477 HH11 ' HD3' ' A' ' 85' ' ' LYS . 43.3 ttm180 -128.16 146.65 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.421 -1.263 . . . . 75.24 107.789 -166.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.98 89.57 0.08 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.566 0.746 . . . . 75.41 110.497 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.32 -19.86 9.81 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 115.681 -0.69 . . . . 74.22 112.822 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.477 ' HD3' HH11 ' A' ' 82' ' ' ARG . 65.3 tttm -122.59 102.45 8.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.486 0.714 . . . . 55.31 110.033 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.88 147.02 29.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.86 0.864 . . . . 52.23 110.387 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 59.5 t -77.74 89.59 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.021 -1.103 . . . . 53.41 108.021 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -77.49 111.93 13.73 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.917 -0.772 . . . . 61.43 108.917 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.539 HG21 ' HA ' ' A' ' 70' ' ' VAL . 50.9 mt -101.83 100.28 14.21 Favored Pre-proline 0 CA--C 1.547 0.834 0 N-CA-C 108.746 -0.835 . . . . 44.12 108.746 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.98 113.26 3.35 Favored 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 122.013 1.809 . . . . 71.22 110.028 176.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.528 ' HB2' HG23 ' A' ' 29' ' ' ILE . 42.1 mt -77.84 95.3 4.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.398 -1.334 . . . . 62.43 107.398 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.45 102.15 0.39 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.045 -0.724 . . . . 75.54 109.045 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.7 mt -109.29 34.52 3.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.285 1.034 . . . . 63.12 108.297 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.33 -62.09 3.2 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.723 -0.671 . . . . 72.02 111.871 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -86.48 -58.79 2.48 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.011 0.524 . . . . 74.33 110.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -66.59 -7.2 18.65 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.925 1.29 . . . . 73.01 114.33 -167.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.21 -23.72 66.81 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.934 0.334 . . . . 31.3 111.029 169.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.1 p -69.4 -9.91 55.64 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.834 0.853 . . . . 74.11 112.629 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -55.7 -44.53 77.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.058 0.543 . . . . 72.4 111.794 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -86.44 -15.4 40.35 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 119.436 -0.316 . . . . 73.42 111.625 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.77 108.67 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 107.924 -1.139 . . . . 62.3 107.924 169.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 104' ' ' GLU . 50.1 mm -109.81 125.3 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.68 -0.859 . . . . 75.5 108.68 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.18 -12.19 59.25 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.915 0.886 . . . . 74.54 111.305 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' H ' HG22 ' A' ' 102' ' ' ILE . 9.8 mm-40 . . . . . 0 N--CA 1.481 1.102 0 C-N-CA 123.096 0.559 . . . . 74.22 109.69 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.6 ttm . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 108.959 -0.756 . . . . 63.32 108.959 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p -107.64 166.72 10.47 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.717 0.807 . . . . 73.32 109.215 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.87 64.74 Favored Glycine 0 C--N 1.345 1.032 0 O-C-N 123.485 0.491 . . . . 54.43 112.663 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.51 -57.02 14.52 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.019 0.928 . . . . 65.32 109.772 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.67 -37.9 87.8 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.817 0.847 . . . . 72.24 111.793 -175.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 20' ' ' VAL . 41.8 tp -65.78 -43.61 88.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.129 0.572 . . . . 74.42 110.438 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -61.82 -48.14 81.91 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 71.32 110.308 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.95 -20.67 65.93 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 114.927 -1.033 . . . . 75.21 111.726 -176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -72.67 -41.27 65.58 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.464 0.706 . . . . 64.42 110.251 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.88 -31.29 66.28 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.106 -0.952 . . . . 71.43 110.1 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.7 mt -78.4 -32.78 48.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.113 0.965 . . . . 62.53 111.413 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.39 -43.65 85.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.711 0.804 . . . . 71.05 110.189 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -89.09 -61.57 1.67 Allowed 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.14 -0.937 . . . . 70.44 110.93 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.2 m0 -98.51 -29.06 13.31 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.067 -0.515 . . . . 72.33 112.068 -170.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.46 19.69 61.66 Favored Glycine 0 N--CA 1.473 1.155 0 O-C-N 123.195 0.309 . . . . 52.11 113.762 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.22 139.13 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.578 -0.897 . . . . 73.54 108.578 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -84.74 74.81 10.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.662 -0.496 . . . . 70.43 109.662 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -71.08 155.19 41.08 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.767 0.427 . . . . 74.52 110.819 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -98.58 144.4 27.93 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.485 -0.561 . . . . 75.31 109.485 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 HG21 ' A' ' 57' ' ' VAL . 29.4 m -121.11 151.34 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.436 0.694 . . . . 42.21 110.098 -174.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -142.07 141.78 32.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.799 0.44 . . . . 63.54 111.465 -176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' ' HA ' ' A' ' 57' ' ' VAL . 72.8 m-85 -81.52 130.22 34.97 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.92 0.488 . . . . 75.13 110.153 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -124.96 129.82 51.11 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.783 -0.821 . . . . 61.0 108.783 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -113.75 106.93 15.08 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.552 0.741 . . . . 74.12 109.212 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -144.72 138.54 27.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.87 0.868 . . . . 73.34 109.318 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 64.6 20.76 12.25 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.868 1.267 . . . . 75.42 112.756 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.37 9.33 85.88 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 116.927 -0.124 . . . . 64.22 113.08 -174.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -103.51 168.54 9.09 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.242 1.017 . . . . 51.55 109.451 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.6 tp -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-O 121.562 0.696 . . . . 65.04 109.699 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -128.04 121.15 29.0 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.252 1.021 . . . . 73.45 109.38 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -90.45 98.02 11.53 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.118 -1.067 . . . . 61.23 108.118 173.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -85.01 109.79 18.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.4 0.68 . . . . 63.43 110.323 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 21.6 t -73.52 109.26 5.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.531 -0.915 . . . . 75.02 108.531 169.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.7 mmt -66.08 155.93 35.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.71 0.804 . . . . 75.11 111.206 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.434 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 29.4 p90 -77.53 -7.14 55.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.313 1.045 . . . . 70.55 111.354 176.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -90.37 139.81 30.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.385 0.674 . . . . 60.04 109.986 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -131.67 155.83 46.92 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.508 1.123 . . . . 74.24 109.5 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.68 -25.78 65.02 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.987 0.915 . . . . 52.25 113.226 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.46 -15.98 63.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 122.923 0.489 . . . . 54.21 112.016 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.94 144.98 54.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.424 0.689 . . . . 35.03 111.24 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.13 -16.88 39.01 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.31 1.044 . . . . 73.51 110.68 174.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -94.36 5.36 52.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.158 0.983 . . . . 72.52 111.393 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.54 123.71 85.27 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 123.342 0.657 . . . . 73.21 110.23 -175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -76.18 5.21 4.72 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 123.114 2.543 . . . . 72.22 115.013 -166.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtm -129.42 152.03 49.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.673 0.789 . . . . 71.34 109.524 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 80.6 m-20 -71.82 166.17 22.59 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.839 -0.8 . . . . 73.4 108.839 168.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.836 0.454 . . . . 64.21 111.034 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.0 m -63.48 -46.52 85.78 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.192 0.597 . . . . 75.2 110.377 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 26.3 mm-40 -63.05 -38.89 93.0 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.156 0.582 . . . . 72.02 110.986 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 27.0 t80 -62.53 -50.81 69.88 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.823 -1.081 . . . . 72.21 110.942 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -69.61 -37.89 77.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.943 0.897 . . . . 62.42 111.245 -173.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -69.85 -31.02 68.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.29 0.636 . . . . 62.22 111.165 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.63 -37.92 80.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.388 -0.369 . . . . 74.44 110.275 175.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 83.5 mt -63.22 -41.51 99.14 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.538 0.524 . . . . 74.5 110.718 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.08 -31.96 64.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.467 -0.788 . . . . 73.01 110.568 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 t -68.53 -37.3 79.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.798 0.839 . . . . 72.52 110.931 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 20' ' ' VAL . 38.2 t -66.65 -49.17 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.657 -0.702 . . . . 75.44 109.589 174.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.43 69.29 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.419 1.088 . . . . 73.32 111.803 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -68.63 -42.19 78.38 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.882 0.873 . . . . 74.21 109.871 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.64 -36.48 78.66 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.626 0.37 . . . . 70.13 111.361 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.15 -21.79 66.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.275 0.63 . . . . 62.3 111.704 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -75.9 -54.18 7.28 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.132 0.973 . . . . 74.32 110.077 173.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.49 70.36 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.731 0.812 . . . . 35.22 111.644 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' A' ' 93' ' ' LEU . 85.4 mt -70.55 -29.11 65.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.209 1.004 . . . . 73.43 111.308 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.44 32.24 31.54 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.805 -0.634 . . . . 60.32 112.693 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -101.73 1.27 52.44 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 119.181 -0.788 . . . . 31.41 113.882 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.94 86.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.578 0.689 . . . . 74.21 112.305 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.11 -36.51 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.281 -0.872 . . . . 62.1 110.005 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 13.5 mm-40 -64.36 -38.67 91.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.433 0.693 . . . . 61.4 111.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 66' ' ' GLY . 98.1 t -68.35 -47.92 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.673 0.789 . . . . 52.12 110.256 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.7 -36.33 83.51 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.198 -0.91 . . . . 72.14 111.543 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -69.52 -47.91 62.21 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.29 0.636 . . . . 74.13 110.143 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.9 -58.18 7.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.923 0.489 . . . . 71.03 110.884 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.13 -47.66 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.872 0.869 . . . . 60.12 111.635 -173.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.7 m -64.73 -30.63 71.65 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.71 0.404 . . . . 74.12 111.675 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -99.82 -12.7 19.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.408 0.892 . . . . 72.03 113.408 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -87.81 146.1 25.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.679 0.672 . . . . 71.43 110.789 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -105.52 7.09 32.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.465 0.706 . . . . 75.2 110.221 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.29 142.26 37.91 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.537 0.735 . . . . 74.11 110.177 174.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 52.2 mtt180 -119.26 147.08 42.24 Favored Pre-proline 0 N--CA 1.472 0.645 0 C-N-CA 123.681 0.792 . . . . 73.55 109.873 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.434 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 24.1 Cg_exo -63.38 120.08 7.39 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.311 2.008 . . . . 71.13 110.934 171.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -126.72 159.35 33.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.625 0.77 . . . . 74.21 109.435 -175.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.8 tp -56.65 110.16 0.74 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.641 0.776 . . . . 54.33 111.61 -174.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.26 -30.06 10.65 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 123.58 0.55 . . . . 74.45 112.636 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -109.09 105.21 14.59 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.803 0.841 . . . . 73.13 110.873 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.02 150.64 24.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.591 0.756 . . . . 71.34 110.448 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 84.1 t -80.09 89.75 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 N-CA-C 108.635 -0.876 . . . . 70.24 108.635 173.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.7 t -76.86 98.8 4.98 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.199 1.0 . . . . 65.25 109.066 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.9 mt -82.33 108.49 11.96 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.866 0.866 . . . . 40.04 109.264 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.57 114.44 3.7 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.731 1.621 . . . . 75.22 111.053 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.0 mt -86.46 104.86 16.33 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 109.427 -0.583 . . . . 75.31 109.427 -178.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 15.8 t70 -75.7 97.62 3.87 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.226 -0.657 . . . . 72.41 109.226 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 64' ' ' LEU . 47.7 mt -122.6 75.73 1.28 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.333 0.653 . . . . 74.31 110.066 -174.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -88.15 -92.02 1.06 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.501 -0.772 . . . . 54.01 111.578 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.52 -27.68 63.37 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.262 0.625 . . . . 65.41 111.813 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -69.91 -19.33 63.4 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.858 0.463 . . . . 62.42 111.764 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.48 -31.19 42.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.187 0.595 . . . . 63.21 110.314 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -74.53 -8.52 56.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.838 0.855 . . . . 73.43 113.131 -176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.99 -42.94 99.98 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.719 0.808 . . . . 72.21 111.579 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -101.5 -15.05 17.26 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.066 0.546 . . . . 63.45 112.366 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.98 100.62 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 107.574 -1.269 . . . . 71.11 107.574 166.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.25 105.5 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.928 0.891 . . . . 72.23 109.996 -176.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -120.22 99.07 6.37 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 108.665 -0.865 . . . . 63.51 108.665 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 CA--C 1.561 1.375 0 C-N-CA 123.573 0.749 . . . . 64.13 110.333 -177.226 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 ttp . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.45 -0.574 . . . . 63.24 109.45 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -82.3 -179.57 7.46 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.355 0.662 . . . . 61.43 110.151 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.98 -22.77 78.68 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.079 0.237 . . . . 60.54 112.91 172.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -62.01 -52.93 61.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.588 0.755 . . . . 70.32 109.225 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.399 -0.818 . . . . 71.03 112.153 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.468 HD21 HG21 ' A' ' 20' ' ' VAL . 55.5 tp -69.27 -42.43 75.55 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.215 0.606 . . . . 75.31 109.623 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.435 ' HB2' HD13 ' A' ' 54' ' ' LEU . 79.7 ttt180 -67.05 -43.45 82.68 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.926 -0.579 . . . . 62.31 110.917 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.4 -33.41 72.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.005 0.522 . . . . 75.55 110.425 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.78 -28.3 68.28 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.877 0.471 . . . . 70.43 111.125 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -85.11 -31.17 23.48 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.082 0.553 . . . . 64.33 110.811 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.91 -44.25 18.57 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.675 0.79 . . . . 45.12 111.874 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.29 -36.65 80.65 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.008 0.523 . . . . 71.42 111.063 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -75.17 -65.73 0.85 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.172 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -101.95 -39.03 7.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.33 -0.85 . . . . 74.02 111.381 -172.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.76 6.48 46.41 Favored Glycine 0 N--CA 1.477 1.379 0 CA-C-N 116.619 -0.264 . . . . 73.34 112.815 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.95 138.08 41.97 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.027 0.931 . . . . 71.42 109.509 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -90.27 93.79 9.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 74.31 109.548 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 62.3 m-85 -81.48 145.46 30.72 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.295 0.638 . . . . 75.23 110.439 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.7 p-10 -70.65 118.89 14.01 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.333 -0.617 . . . . 73.52 109.333 176.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 6' ' ' LEU . 15.4 m -103.42 126.9 57.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.627 0.727 . . . . 60.11 109.688 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -122.63 -178.14 3.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.989 1.316 . . . . 71.12 109.884 -172.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' A' ' 29' ' ' ILE . 63.8 m-85 -121.5 142.23 50.26 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.212 0.529 . . . . 64.52 111.614 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.617 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 34.5 ttm180 -119.95 129.4 54.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.889 1.276 . . . . 74.04 108.302 172.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -119.75 98.99 6.37 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.31 -0.996 . . . . 61.24 108.31 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 t -141.0 135.32 31.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.971 0.508 . . . . 75.21 110.148 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 63.1 30.21 16.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.536 1.135 . . . . 72.44 111.306 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.05 6.82 69.31 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.721 -0.672 . . . . 62.3 113.776 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -104.9 155.92 18.49 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.909 0.884 . . . . 73.03 110.222 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -115.23 142.08 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.458 0.703 . . . . 74.3 109.29 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 73.8 m-85 -135.87 135.47 39.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.343 1.057 . . . . 73.21 108.701 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 39.3 tp -93.25 107.18 19.04 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.171 0.441 . . . . 62.01 109.928 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -87.55 98.22 11.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.792 0.837 . . . . 75.1 112.097 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.606 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -73.13 103.85 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 108.353 -0.98 . . . . 73.33 108.353 169.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.51 167.31 19.95 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.059 0.544 . . . . 74.43 111.112 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -78.96 -18.2 54.15 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.76 0.824 . . . . 71.45 111.827 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -85.31 146.22 27.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.965 0.506 . . . . 61.24 109.661 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 18' ' ' TYR . 11.7 p90 -138.3 159.44 42.04 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.191 0.996 . . . . 63.31 109.409 -177.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.539 HD21 ' HG3' ' A' ' 47' ' ' GLU . 59.4 tp -57.85 -25.25 60.45 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.061 0.945 . . . . 64.23 112.818 -172.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.09 29.5 0.34 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.201 0.6 . . . . 74.54 112.321 -174.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -100.3 155.37 17.82 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.237 1.015 . . . . 54.2 109.527 168.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -38.83 53.15 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.525 0.73 . . . . 63.14 110.947 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -111.93 76.03 0.95 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.661 0.785 . . . . 74.44 109.179 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 31.1 t80 -93.99 135.09 25.08 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 108.92 -0.77 . . . . 64.42 108.92 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 43' ' ' PHE . 8.8 Cg_endo -47.12 -34.23 17.0 Favored 'Trans proline' 0 C--N 1.385 2.497 0 C-N-CA 124.504 3.47 . . . . 72.25 114.936 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -116.21 152.28 34.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 52.41 109.82 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -74.43 165.14 25.7 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.069 -0.345 . . . . 63.23 110.069 170.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HG3' HD21 ' A' ' 38' ' ' LEU . 38.4 tt0 -57.24 -50.01 74.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.823 0.849 . . . . 74.53 112.767 -174.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -66.46 -40.43 89.38 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.456 0.472 . . . . 74.04 110.669 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.6 -42.58 95.48 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.428 -0.805 . . . . 72.4 110.49 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' HE1' ' HA ' ' A' ' 19' ' ' ASP . 43.1 t80 -66.51 -43.82 84.23 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.49 -1.232 . . . . 74.34 111.326 -178.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -64.01 -42.77 97.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.144 0.578 . . . . 72.55 110.981 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.81 -23.67 58.52 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.339 -0.846 . . . . 65.21 110.833 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -74.36 -32.69 62.87 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.867 0.467 . . . . 61.42 110.325 173.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 7' ' ' ARG . 85.9 mt -64.1 -36.99 85.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.882 0.473 . . . . 65.21 110.026 173.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.58 -30.57 65.98 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.118 -0.946 . . . . 75.2 110.675 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -68.85 -43.98 74.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.493 0.717 . . . . 54.02 110.479 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 HG23 ' A' ' 20' ' ' VAL . 52.9 t -64.53 -45.72 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.419 0.688 . . . . 73.33 110.29 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -67.7 -27.5 66.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 72.25 111.403 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -67.32 -41.08 85.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.479 -0.782 . . . . 73.23 110.219 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.734 0.413 . . . . 74.21 111.372 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 89.8 mt -61.49 -38.38 87.09 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.812 -0.631 . . . . 54.13 110.397 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -75.52 -37.63 59.96 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.965 0.506 . . . . 71.53 110.695 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.37 68.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.622 0.769 . . . . 74.51 112.168 -174.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.1 mt -98.6 -26.09 14.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.734 0.813 . . . . 75.13 110.391 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 3.47 56.99 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.837 -0.62 . . . . 74.13 113.182 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -82.17 5.77 70.52 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 119.189 -0.784 . . . . 60.13 114.463 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.86 71.08 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 117.667 0.733 . . . . 61.25 111.977 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.82 -34.83 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 115.785 -0.643 . . . . 61.04 110.409 175.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.88 -36.77 85.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.24 0.616 . . . . 71.21 111.365 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HG21 ' A' ' 89' ' ' ILE . 90.4 t -67.59 -51.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.294 0.638 . . . . 51.41 110.69 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.47 -48.15 82.77 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.883 -1.053 . . . . 55.43 111.378 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.1 m -63.97 -44.54 92.41 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.745 0.818 . . . . 74.33 111.428 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.41 -49.99 71.58 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.57 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.65 -31.82 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.34 0.656 . . . . 74.53 111.469 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.23 -36.64 82.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.868 0.467 . . . . 52.22 111.408 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -84.59 -57.69 3.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.168 0.587 . . . . 62.13 111.889 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.7 t -58.03 151.7 18.07 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.937 0.895 . . . . 75.44 111.785 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -129.3 20.25 5.77 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.889 0.876 . . . . 62.4 109.127 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.48 143.86 36.27 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.782 0.833 . . . . 74.11 110.777 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -114.52 136.69 22.41 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.961 0.904 . . . . 73.14 110.813 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.01 125.4 15.8 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.229 2.619 . . . . 60.45 113.308 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HB3' ' HB2' ' A' ' 85' ' ' LYS . 70.4 ttt180 -127.73 158.21 38.26 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.309 1.444 . . . . 75.13 108.887 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.53 104.84 0.37 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.66 0.664 . . . . 72.34 109.617 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.39 -33.59 5.6 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 111.749 -0.54 . . . . 71.42 111.749 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 5.9 mptp? -103.57 112.06 24.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.581 0.752 . . . . 73.45 110.183 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.4 38.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.517 0.727 . . . . 72.21 109.188 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.606 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 40.3 t -80.2 89.36 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 108.414 -0.958 . . . . 53.31 108.414 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 t -77.48 102.68 7.01 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.083 -1.08 . . . . 60.0 108.083 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.558 HG21 ' HA ' ' A' ' 70' ' ' VAL . 71.8 mt -82.89 110.4 22.74 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 124.071 0.948 . . . . 73.5 109.165 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.3 113.08 3.68 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 121.789 1.659 . . . . 72.15 111.469 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.402 HD12 HG23 ' A' ' 29' ' ' ILE . 26.1 mt -89.01 93.09 9.48 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.937 -1.134 . . . . 60.43 107.937 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.94 84.26 3.48 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 114.947 -1.024 . . . . 63.32 109.492 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 95.2 mt -114.01 75.88 0.95 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 114.805 -1.089 . . . . 74.42 111.113 -170.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.31 -91.05 0.93 Allowed Glycine 0 C--N 1.341 0.828 0 N-CA-C 110.835 -0.906 . . . . 73.23 110.835 169.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.71 -32.68 72.65 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.137 0.575 . . . . 73.21 111.232 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -70.41 -24.94 63.01 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 116.591 -0.277 . . . . 75.4 111.702 -173.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . . . -77.84 -35.47 51.12 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.172 0.51 . . . . 74.45 110.331 168.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -74.89 -9.06 58.18 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.768 0.827 . . . . 63.03 112.383 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.36 -43.46 98.76 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.921 0.488 . . . . 71.11 111.851 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 23.6 p-90 -95.11 -2.43 50.0 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.639 -0.71 . . . . 72.52 111.745 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.6 mp -101.57 110.96 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 108.171 -1.048 . . . . 71.33 108.171 168.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.2 mm -106.28 92.64 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.546 0.738 . . . . 54.41 109.24 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.2 mt -78.01 104.5 8.61 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.549 0.74 . . . . 72.34 110.386 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.256 1.4 0 C-N-CA 124.053 0.941 . . . . 64.04 109.355 178.796 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttm . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 109.111 -0.7 . . . . 74.14 109.111 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.413 HG22 ' HG2' ' A' ' 5' ' ' GLU . 9.8 t -91.03 162.53 14.67 Favored 'General case' 0 C--O 1.247 0.959 0 N-CA-C 109.637 -0.505 . . . . 71.41 109.637 168.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.57 -18.75 59.38 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 115.62 -0.718 . . . . 74.22 113.902 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.92 -36.39 69.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.34 0.656 . . . . 72.53 110.386 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG2' HG22 ' A' ' 2' ' ' THR . 12.9 mm-40 -66.4 -48.67 69.31 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.22 0.534 . . . . 62.05 110.249 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.686 HD21 HG21 ' A' ' 20' ' ' VAL . 24.7 tp -65.6 -39.46 91.57 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.389 -1.278 . . . . 72.41 110.585 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.13 -53.18 61.0 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.102 0.961 . . . . 62.4 109.929 173.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.96 83.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.898 -1.046 . . . . 64.22 109.829 -176.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.39 -36.29 83.66 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.525 0.73 . . . . 55.32 111.414 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.0 mt -77.93 -31.78 51.2 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.188 0.595 . . . . 55.05 110.334 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.56 -25.41 50.06 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.629 0.772 . . . . 73.24 111.465 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.31 -46.31 16.37 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.896 0.878 . . . . 74.25 108.87 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -74.41 -60.33 2.32 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.01 -0.996 . . . . 71.44 111.847 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -105.81 -24.01 12.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.153 0.581 . . . . 73.52 112.031 -170.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.43 17.72 70.55 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 113.37 0.108 . . . . 70.41 113.37 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 86.4 m-85 -135.48 141.95 45.42 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.747 0.819 . . . . 73.42 109.688 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 p -83.76 73.45 10.28 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.061 -0.972 . . . . 61.51 110.398 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 71.1 m-85 -71.31 156.8 39.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.365 0.666 . . . . 73.24 112.574 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.54 126.17 42.67 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.426 -0.953 . . . . 71.32 108.426 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.686 HG21 HD21 ' A' ' 6' ' ' LEU . 30.8 m -105.28 135.57 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.294 0.637 . . . . 61.43 109.438 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -132.45 128.28 37.11 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.67 0.388 . . . . 75.15 110.853 -173.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -67.69 149.21 50.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.2 0.6 . . . . 72.24 111.212 172.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -159.62 122.66 3.57 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.522 -0.763 . . . . 73.11 109.601 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -92.61 104.52 16.8 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.438 -0.949 . . . . 71.4 108.438 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -142.02 140.27 32.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.569 0.748 . . . . 45.42 109.631 -175.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 65.13 16.71 10.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.541 1.136 . . . . 73.45 112.193 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.27 -14.42 62.37 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.762 0.696 . . . . 40.52 112.546 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 51.4 mttm -108.55 162.85 13.75 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.731 0.813 . . . . 75.25 110.918 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -92.29 135.59 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 109.126 -0.694 . . . . 71.55 109.126 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 28' ' ' LYS . 66.5 m-85 -130.43 145.92 51.9 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.506 1.122 . . . . 70.34 108.797 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -106.63 97.65 7.42 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.038 -0.727 . . . . 74.4 109.038 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -87.97 109.46 19.83 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.889 0.376 . . . . 71.22 110.604 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.626 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 47.4 t -68.92 107.95 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.323 -0.853 . . . . 70.01 109.149 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.4 mmt -66.98 155.55 38.3 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.454 0.702 . . . . 54.34 111.413 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -70.54 -9.59 57.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.904 1.282 . . . . 74.03 111.603 171.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -75.82 128.43 35.13 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.136 0.974 . . . . 74.02 109.569 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -138.01 153.24 49.41 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.795 0.838 . . . . 72.22 110.063 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 tp -65.25 -17.68 64.7 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.7 0.8 . . . . 73.54 112.704 -168.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.72 -29.09 70.35 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.491 0.716 . . . . 75.33 111.487 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -84.2 139.67 32.23 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.032 0.533 . . . . 63.4 110.133 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.52 3.62 35.68 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.041 0.936 . . . . 75.02 111.783 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 m -102.56 17.2 24.27 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.579 0.752 . . . . 53.51 111.255 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.24 134.06 93.39 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 123.838 0.855 . . . . 75.11 110.72 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -52.78 -36.98 75.56 Favored 'Trans proline' 0 C--N 1.384 2.416 0 C-N-CA 123.842 3.028 . . . . 74.12 114.899 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -112.14 176.91 4.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.511 0.672 . . . . 74.2 111.065 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -84.09 -175.17 5.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 114.893 -1.049 . . . . 60.44 109.927 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.62 -59.9 4.02 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.113 0.965 . . . . 72.02 111.208 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 m -64.51 -42.17 95.97 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.43 0.692 . . . . 62.12 110.191 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.2 -39.73 75.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.646 0.778 . . . . 73.34 111.758 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 19.7 t80 -65.48 -47.18 76.96 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.396 0.678 . . . . 72.31 111.366 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -66.69 -35.56 80.42 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.975 0.416 . . . . 72.53 110.844 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.66 -23.36 49.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.613 0.765 . . . . 54.14 111.098 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.24 -45.9 82.77 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 109.238 -0.653 . . . . 53.35 109.238 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 95.0 mt -61.11 -39.71 91.04 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.76 0.662 . . . . 73.35 110.449 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.35 -32.41 70.1 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.153 0.908 . . . . 72.21 111.151 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -72.87 -41.55 64.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.545 -0.752 . . . . 75.02 110.352 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.13 -49.34 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.402 -0.817 . . . . 71.53 110.003 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -24.74 67.27 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 124.301 1.04 . . . . 63.51 112.059 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -62.81 -49.46 74.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.09 0.956 . . . . 73.0 109.988 171.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -72.47 -26.35 61.78 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.318 -0.401 . . . . 45.23 112.003 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.16 -40.16 95.54 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.077 -0.342 . . . . 73.33 110.077 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.13 -50.08 51.23 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.755 -0.657 . . . . 73.0 109.897 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 -50.49 73.1 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.573 1.149 . . . . 73.11 113.058 -172.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.17 -14.22 53.88 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.657 -0.701 . . . . 54.54 111.571 -175.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.52 30.82 39.06 Favored Glycine 0 C--N 1.354 1.539 0 O-C-N 123.417 0.448 . . . . 71.42 112.715 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.56 12.04 35.84 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.692 -0.504 . . . . 72.02 113.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.32 66.19 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.085 0.554 . . . . 52.11 111.652 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.95 -31.09 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 115.343 -0.844 . . . . 55.34 110.177 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.477 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.5 mm-40 -63.45 -38.4 90.98 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.959 0.504 . . . . 74.44 110.948 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.402 ' HA ' HG21 ' A' ' 89' ' ' ILE . 95.6 t -70.96 -47.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.544 0.738 . . . . 71.32 110.981 178.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.34 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.129 0.572 . . . . 62.13 111.23 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.6 m -63.87 -48.47 76.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.508 0.723 . . . . 62.44 110.599 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.437 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.1 t80 -66.72 -53.93 28.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.976 -0.556 . . . . 74.42 111.025 -174.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mt -57.33 -40.42 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.481 0.712 . . . . 75.52 111.108 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -69.91 -52.03 28.06 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 122.424 0.29 . . . . 62.14 111.688 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.94 -20.68 60.3 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 112.954 0.724 . . . . 72.13 112.954 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -79.92 178.01 8.51 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -149.77 21.88 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.597 0.759 . . . . 71.13 109.058 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -85.85 128.64 34.87 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.669 -0.696 . . . . 61.23 109.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -95.42 135.39 23.26 Favored Pre-proline 0 C--O 1.241 0.648 0 O-C-N 124.174 0.922 . . . . 72.11 109.366 -177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.28 119.29 6.29 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.455 2.103 . . . . 73.21 110.317 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 74.3 ttt180 -124.36 163.71 21.16 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.175 0.99 . . . . 71.13 108.604 -176.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.24 111.59 1.26 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.805 0.442 . . . . 54.4 111.061 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.11 5.26 83.35 Favored Glycine 0 N--CA 1.478 1.492 0 O-C-N 123.325 0.391 . . . . 71.42 113.261 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 62.8 tttm -129.17 103.61 7.07 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.774 1.23 . . . . 72.01 109.722 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.4 159.66 15.86 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.899 0.479 . . . . 62.33 111.021 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.626 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 57.9 t -98.66 90.35 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.717 -1.216 . . . . 71.24 107.717 171.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -80.63 103.52 10.54 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.454 0.702 . . . . 52.34 109.613 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.437 HG12 ' CD2' ' A' ' 73' ' ' PHE . 69.0 mt -81.41 116.6 63.88 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.174 0.99 . . . . 65.1 109.632 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.99 113.5 3.8 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 121.919 1.746 . . . . 74.41 111.287 175.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.17 93.32 9.0 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.611 -1.255 . . . . 71.31 107.611 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.477 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 32.0 t70 -68.64 86.68 0.32 Allowed 'General case' 0 C--O 1.243 0.711 0 CA-C-N 114.963 -1.017 . . . . 62.34 109.911 -176.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 85.4 mt -124.37 51.17 1.61 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.5 1.12 . . . . 71.21 109.0 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -82.52 -63.65 1.76 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 111.196 -0.762 . . . . 71.32 111.196 171.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -92.51 -27.96 17.1 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.516 0.726 . . . . 72.44 109.772 175.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -71.04 -6.65 40.66 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.787 0.835 . . . . 72.43 111.474 170.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 93' ' ' LEU . . . -55.96 -18.11 8.39 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.342 0.657 . . . . 61.31 112.166 170.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.8 m -64.61 -11.26 33.15 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 124.039 0.936 . . . . 75.11 113.486 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.92 -45.89 90.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.039 0.536 . . . . 74.23 110.459 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -104.12 -18.15 14.64 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.513 0.725 . . . . 71.33 112.355 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.37 97.71 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 107.214 -1.402 . . . . 74.21 107.214 166.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.3 mm -116.19 89.23 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.023 0.929 . . . . 70.01 108.947 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.05 58.21 0.72 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.443 -0.947 . . . . 65.45 108.443 173.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 CA--C 1.562 1.411 0 CA-C-N 114.08 -1.418 . . . . 73.14 111.3 -179.626 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 61.0 ttp . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.806 -0.442 . . . . 64.53 109.806 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 5' ' ' GLU . 9.9 t -81.34 173.62 12.3 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.616 0.766 . . . . 74.12 109.392 171.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.67 60.18 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.067 -0.296 . . . . 63.34 113.687 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.13 -42.19 69.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.089 0.556 . . . . 74.25 109.783 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.531 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 34.4 mm-40 -72.39 -37.6 68.66 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.851 0.46 . . . . 71.34 110.688 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.3 tp -64.94 -36.87 85.77 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.069 -0.514 . . . . 73.31 110.436 176.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -59.2 -52.95 63.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.07 0.948 . . . . 62.54 110.14 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -65.83 -24.34 66.87 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.117 -0.947 . . . . 75.35 111.942 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.34 -39.37 85.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.905 0.482 . . . . 73.34 109.993 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.3 mt -78.08 -36.42 48.21 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.558 0.743 . . . . 74.35 110.124 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.73 -31.07 66.31 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.839 0.856 . . . . 75.51 112.23 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.26 -38.93 55.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.722 0.809 . . . . 74.51 109.996 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -80.01 -66.0 0.93 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.031 -0.531 . . . . 74.23 111.254 -173.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.451 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.2 m-90 -105.56 -4.09 21.59 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.401 -0.818 . . . . 55.51 111.848 -171.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.05 7.08 84.0 Favored Glycine 0 C--N 1.35 1.328 0 N-CA-C 114.008 0.363 . . . . 73.43 114.008 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -141.69 145.73 35.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.166 0.986 . . . . 74.41 109.534 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.8 p -90.36 90.84 8.22 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.721 0.809 . . . . 73.55 110.122 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.43 151.23 24.79 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.462 0.705 . . . . 73.01 111.87 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.07 137.26 51.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.9 -0.778 . . . . 54.23 108.9 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG23 HG21 ' A' ' 57' ' ' VAL . 6.9 m -122.98 125.62 72.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.443 -0.947 . . . . 73.3 108.443 175.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -126.79 133.9 50.7 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.184 0.594 . . . . 74.43 109.727 -176.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' HB3' HD11 ' A' ' 29' ' ' ILE . 69.0 m-85 -66.94 142.61 57.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.569 0.748 . . . . 74.53 110.55 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -130.23 106.03 8.31 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -94.5 97.69 10.33 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.154 -1.054 . . . . 75.33 108.154 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -142.69 140.76 31.65 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.985 0.914 . . . . 53.45 109.346 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 65.51 21.12 11.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.405 1.482 . . . . 72.35 110.847 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.32 0.26 86.11 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 116.377 -0.374 . . . . 24.41 113.376 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -106.04 179.84 4.15 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.212 1.005 . . . . 61.25 110.371 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.0 tp -133.4 128.56 55.28 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 121.605 0.716 . . . . 70.43 110.656 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -129.78 124.8 34.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.486 1.114 . . . . 73.42 108.46 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -89.89 98.14 11.6 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.564 -0.902 . . . . 64.41 108.564 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 88' ' ' SER . 72.2 mt-30 -88.15 112.77 23.09 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.047 0.539 . . . . 71.32 111.288 -175.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.8 t -73.8 114.67 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.063 -0.972 . . . . 72.12 109.336 174.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.8 mmt -69.69 161.83 28.94 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.92 0.888 . . . . 64.44 111.284 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -82.07 -9.19 59.62 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.947 1.299 . . . . 75.22 110.159 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.0 116.83 22.43 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.78 0.832 . . . . 61.52 109.668 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -113.79 157.87 21.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.266 0.626 . . . . 74.53 110.357 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.26 -30.85 69.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.074 0.95 . . . . 73.14 112.905 -170.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.46 -16.33 63.86 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.501 0.72 . . . . 71.22 112.124 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.49 138.06 46.76 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.135 0.574 . . . . 63.33 109.756 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.81 63.7 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.02 0.928 . . . . 72.34 111.728 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.8 m -90.25 10.54 24.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.826 0.85 . . . . 63.23 112.572 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.81 129.07 93.59 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-O 118.936 -0.554 . . . . 74.31 110.015 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -63.91 -31.68 66.94 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.934 2.423 . . . . 74.12 114.23 -169.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 mtm -104.58 157.67 17.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.159 0.583 . . . . 73.15 110.733 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.614 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 52.0 m-80 -74.22 168.37 19.73 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.178 -0.465 . . . . 75.44 109.834 170.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.03 -40.76 97.03 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.842 0.857 . . . . 72.3 111.411 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 m -63.39 -48.74 76.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.727 0.811 . . . . 73.24 109.99 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.614 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.2 mm-40 -62.41 -37.52 86.13 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.552 0.741 . . . . 71.01 110.73 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -68.29 -41.33 81.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.916 0.886 . . . . 73.44 111.334 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -65.39 -43.63 90.07 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.012 0.434 . . . . 63.13 110.226 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.32 -29.06 68.53 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 115.235 -0.893 . . . . 75.34 110.717 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -68.46 -40.72 80.96 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.004 0.922 . . . . 73.25 110.072 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.52 -43.32 99.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.751 0.657 . . . . 75.1 110.363 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.56 -27.57 58.66 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.583 -0.735 . . . . 53.23 110.771 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.2 t -72.56 -36.81 68.31 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.054 0.542 . . . . 62.2 110.913 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.503 HG21 HG23 ' A' ' 20' ' ' VAL . 40.9 t -67.27 -51.71 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.237 -0.653 . . . . 71.43 109.237 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -22.23 65.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.979 0.911 . . . . 72.43 112.121 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.52 -45.67 78.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 71.42 110.656 174.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -75.52 -27.41 58.73 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.899 0.48 . . . . 72.41 111.014 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 91.9 mt -71.04 -29.79 65.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.087 0.47 . . . . 71.11 110.001 174.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -75.01 -45.84 39.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.921 0.888 . . . . 75.31 109.634 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.43 62.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.559 0.744 . . . . 72.32 111.782 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -83.12 -11.13 58.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.118 0.967 . . . . 71.54 112.117 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.97 17.31 79.96 Favored Glycine 0 C--N 1.351 1.389 0 O-C-N 123.376 0.422 . . . . 51.53 112.543 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.58 3.62 86.88 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.676 -0.513 . . . . 53.35 113.994 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.03 84.23 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.274 0.537 . . . . 72.44 111.514 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.74 -37.15 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.071 0.857 . . . . 72.23 110.064 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.59 -45.72 91.6 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.62 0.768 . . . . 64.31 112.46 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.475 ' HA ' HG21 ' A' ' 89' ' ' ILE . 67.2 t -65.19 -46.88 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.675 0.79 . . . . 61.52 110.328 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.75 -41.27 92.32 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.797 -1.092 . . . . 73.15 111.498 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -45.64 72.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.298 1.039 . . . . 62.41 110.416 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -62.13 -55.88 24.43 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.22 -0.9 . . . . 70.54 110.115 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.89 -32.85 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.453 0 C-N-CA 124.214 1.006 . . . . 74.42 111.835 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.5 m -68.88 -42.81 76.49 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.268 0.627 . . . . 74.3 111.238 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.05 -39.99 22.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.366 0.666 . . . . 72.13 112.751 -174.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 t -77.72 160.23 28.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.071 0.548 . . . . 71.1 109.689 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -125.16 12.7 8.3 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.599 0.759 . . . . 63.4 109.943 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.65 138.05 46.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.045 0.538 . . . . 75.4 110.869 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 89.8 mtt180 -107.18 142.96 26.17 Favored Pre-proline 0 N--CA 1.474 0.756 0 CA-C-N 114.976 -1.011 . . . . 73.53 109.869 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.9 118.17 5.18 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.296 1.997 . . . . 75.43 111.12 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.647 ' HB2' ' HB3' ' A' ' 85' ' ' LYS . 36.0 mmt180 -97.24 177.95 5.4 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.533 1.133 . . . . 72.31 111.242 -174.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.7 tp -81.31 92.42 6.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.823 -1.08 . . . . 73.12 109.577 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.74 -34.4 5.68 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.43 -0.805 . . . . 51.1 111.839 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 23.5 tptm -95.27 104.44 16.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.385 -0.598 . . . . 64.31 109.385 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.31 148.7 27.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.443 0.697 . . . . 55.53 110.383 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 63.2 t -74.84 89.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.293 -1.003 . . . . 54.12 108.293 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.403 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 32.0 t -78.12 94.48 4.71 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.465 -0.789 . . . . 72.44 108.964 -177.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.475 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -79.35 108.31 8.31 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 123.848 0.859 . . . . 73.52 109.568 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.5 115.22 4.26 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 121.704 1.603 . . . . 61.24 110.839 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.524 ' HB2' HG23 ' A' ' 29' ' ' ILE . 64.7 mt -83.55 95.96 8.48 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.748 -0.834 . . . . 71.04 108.748 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.11 90.82 2.53 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.64 0.733 . . . . 71.43 109.076 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 58.4 mt -93.38 49.59 1.41 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.19 -0.914 . . . . 73.11 109.694 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.12 -88.37 0.1 OUTLIER Glycine 0 C--N 1.351 1.416 0 N-CA-C 111.221 -0.752 . . . . 64.41 111.221 174.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -73.24 -22.81 60.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.357 0.663 . . . . 70.45 110.406 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.497 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 27.3 mmm180 -67.73 -19.12 65.11 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.115 0.566 . . . . 71.41 112.101 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.69 69.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.725 0.41 . . . . 75.03 111.569 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.578 ' HA ' ' HB ' ' A' ' 101' ' ' ILE . 10.7 t -76.42 -8.37 57.0 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.331 0.493 . . . . 74.24 112.331 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.65 -33.08 74.24 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.042 0.448 . . . . 65.41 110.877 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 25.7 p-90 -103.74 -0.64 29.12 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.643 0.608 . . . . 71.4 112.643 175.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 98' ' ' SER . 1.7 mp -96.77 109.02 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.066 -1.087 . . . . 75.25 108.066 169.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.32 108.49 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 C-N-CA 124.075 0.95 . . . . 60.11 109.08 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -118.09 70.02 0.8 Allowed 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 107.52 -1.289 . . . . 73.24 107.52 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 124.048 0.939 . . . . 75.15 109.832 -174.614 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.6 p . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 107.968 -1.123 . . . . 73.15 107.968 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.11 67.54 Favored Glycine 0 C--N 1.347 1.178 0 N-CA-C 112.012 -0.435 . . . . 62.13 112.012 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.19 -58.51 7.5 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.591 1.156 . . . . 74.31 110.126 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -58.32 -33.84 69.95 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.496 0.719 . . . . 62.05 111.367 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.689 HD21 HG21 ' A' ' 20' ' ' VAL . 19.2 tp -68.51 -52.84 27.83 Favored 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.187 0.929 . . . . 72.42 110.484 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HD2' ' OE1' ' A' ' 51' ' ' GLN . 11.5 ptm85 -64.21 -38.57 91.54 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.348 0.405 . . . . 73.32 111.123 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -66.93 -30.58 70.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.105 0.562 . . . . 64.05 110.593 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.4 tp -69.81 -34.05 73.17 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.084 0.554 . . . . 64.13 110.171 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.2 mt -78.12 -38.09 44.73 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.538 0.735 . . . . 72.51 110.937 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.43 -44.64 28.41 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.037 0.935 . . . . 75.12 111.223 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 -32.98 74.95 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.886 0.475 . . . . 70.12 110.834 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -81.29 -65.84 0.96 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.973 -0.558 . . . . 61.42 111.474 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.543 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 7.3 m0 -105.84 -11.28 16.29 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.775 0.83 . . . . 73.2 112.241 -168.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.54 16.78 77.14 Favored Glycine 0 N--CA 1.471 1.025 0 CA-C-O 119.882 -0.399 . . . . 63.43 113.534 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 83.2 m-85 -144.49 148.2 34.23 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.24 1.016 . . . . 71.04 109.164 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.6 p -93.79 93.33 7.91 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.447 0.699 . . . . 75.54 109.525 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.5 m-85 -83.11 158.74 22.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.796 0.838 . . . . 72.2 112.68 -174.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -79.56 143.18 35.05 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.072 -0.967 . . . . 70.11 108.588 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.689 HG21 HD21 ' A' ' 6' ' ' LEU . 16.3 m -131.12 127.09 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.732 0.813 . . . . 62.41 108.916 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -135.01 145.11 47.76 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.382 0.673 . . . . 73.1 110.424 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.617 ' HB3' HD11 ' A' ' 29' ' ' ILE . 79.8 m-85 -80.96 147.38 30.27 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.857 0.863 . . . . 75.41 110.645 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -145.51 132.0 19.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.413 0.685 . . . . 75.24 109.677 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.7 128.14 49.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.2 1.0 . . . . 74.23 109.568 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 t -143.68 128.8 18.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.73 0.812 . . . . 74.43 109.341 174.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 69.09 -3.56 1.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.108 1.363 . . . . 73.32 112.936 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.76 9.55 37.37 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 122.294 -0.254 . . . . 73.13 112.702 -171.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -100.67 154.25 18.75 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.442 1.097 . . . . 71.53 108.668 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 22' ' ' PHE . 9.5 tp -113.69 133.28 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.418 -0.586 . . . . 55.41 109.418 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -127.6 141.72 51.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.538 1.135 . . . . 73.03 109.058 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -101.42 100.27 10.72 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.812 -0.81 . . . . 74.21 108.812 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -86.86 107.01 18.14 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 123.48 0.712 . . . . 71.02 110.422 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 43.0 t -72.76 107.86 3.73 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-N 115.136 -0.938 . . . . 61.23 108.781 171.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -66.64 153.71 42.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.852 0.861 . . . . 72.12 110.706 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.0 p90 -79.78 -4.65 52.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.05 0.94 . . . . 72.21 111.798 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -88.9 133.95 34.12 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.637 0.775 . . . . 61.42 109.095 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HD1' ' HB2' ' A' ' 39' ' ' GLU . 10.8 p90 -133.42 157.6 45.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.14 0.976 . . . . 74.4 110.022 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.1 -19.19 65.87 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.4 0.68 . . . . 75.02 112.115 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' HD1' ' A' ' 37' ' ' TYR . 53.2 mp0 -73.66 -16.6 61.21 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.292 0.637 . . . . 44.13 110.867 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -70.02 137.0 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.604 0.761 . . . . 53.31 110.005 168.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.65 85.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.892 0.877 . . . . 61.11 111.484 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -97.6 40.67 1.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.033 0.933 . . . . 75.52 111.678 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -81.63 129.76 64.24 Favored Pre-proline 0 CA--C 1.565 1.52 0 N-CA-C 109.965 -0.383 . . . . 71.33 109.965 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.83 -6.98 20.36 Favored 'Trans proline' 0 C--N 1.391 2.78 0 C-N-CA 123.445 2.763 . . . . 70.24 114.696 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.6 mtm -121.94 144.05 49.1 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.388 0.675 . . . . 73.41 109.928 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -77.07 175.68 9.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.038 -0.528 . . . . 74.44 109.934 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.9 -47.06 86.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.757 0.823 . . . . 64.22 112.315 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.9 m -71.44 -46.41 60.13 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.022 0.529 . . . . 75.03 110.828 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.41 -39.43 87.34 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.826 0.85 . . . . 71.23 111.252 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.523 1.139 . . . . 64.04 110.478 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' OE1' ' HD2' ' A' ' 7' ' ' ARG . 54.9 tp60 -72.91 -37.72 67.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.773 0.429 . . . . 72.4 110.929 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.5 -32.39 73.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.717 0.807 . . . . 74.42 109.948 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -65.75 -46.71 77.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.237 1.015 . . . . 72.42 109.746 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 7' ' ' ARG . 95.2 mt -59.83 -42.72 94.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.681 0.613 . . . . 73.22 111.081 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -74.82 -27.22 60.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 124.05 0.844 . . . . 73.44 110.604 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 t -72.38 -41.75 65.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.177 0.591 . . . . 43.23 110.083 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.45 -46.6 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.108 0.963 . . . . 73.05 110.085 173.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -28.85 69.09 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.432 1.093 . . . . 61.42 111.511 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -62.01 -44.17 97.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.891 0.876 . . . . 65.24 109.879 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -70.02 -39.29 75.9 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.461 0.704 . . . . 71.02 111.22 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.68 -36.56 76.72 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.76 0.424 . . . . 62.44 110.416 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -72.9 -45.07 60.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.989 0.916 . . . . 72.41 110.738 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.54 95.7 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.064 0.945 . . . . 74.1 111.774 -175.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -89.21 -22.25 22.86 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.95 0.9 . . . . 73.52 111.475 -174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.87 12.22 69.03 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 116.631 -0.259 . . . . 64.12 112.609 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.21 -1.45 89.52 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 120.137 -0.257 . . . . 72.05 113.043 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.02 88.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.762 0.825 . . . . 70.42 111.824 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.99 -40.14 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.152 0.907 . . . . 63.51 109.283 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.515 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.3 mm-40 -63.48 -36.32 83.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.848 0.859 . . . . 63.34 111.3 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.08 -46.16 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.672 0.789 . . . . 64.33 110.513 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.63 -18.59 62.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.829 0.851 . . . . 72.01 112.312 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -90.12 -41.09 11.85 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.315 0.646 . . . . 75.21 109.826 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -68.32 -62.17 1.51 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.877 0.471 . . . . 60.45 110.521 -174.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.5 mt -58.53 -46.21 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.986 0.803 . . . . 71.0 111.625 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -62.06 -40.48 95.91 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 123.435 0.459 . . . . 55.41 111.516 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -83.3 -36.88 24.12 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.235 0.457 . . . . 73.04 112.235 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.6 t -72.95 155.66 39.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.577 0.351 . . . . 62.54 111.04 -172.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -105.86 4.2 29.45 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.505 0.722 . . . . 73.22 110.447 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -62.63 140.36 58.68 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.631 0.772 . . . . 72.44 111.38 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.543 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 42.8 mtt180 -119.46 137.92 25.95 Favored Pre-proline 0 C--O 1.243 0.729 0 C-N-CA 124.333 1.053 . . . . 74.44 108.753 167.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 33.2 Cg_endo -66.49 120.34 7.46 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 121.916 1.744 . . . . 64.42 110.347 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -125.11 156.57 38.1 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.572 1.549 . . . . 74.11 109.14 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 60.5 tp -56.33 99.48 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.844 0.858 . . . . 73.0 110.888 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.72 -26.88 11.06 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.418 -0.81 . . . . 62.14 113.309 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -112.65 103.23 11.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.671 -0.863 . . . . 71.22 108.671 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.38 145.52 24.88 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.198 -0.667 . . . . 60.25 109.198 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.527 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 73.6 t -79.9 87.7 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.775 -1.194 . . . . 60.21 107.775 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -85.35 87.28 7.37 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 115.122 -0.945 . . . . 63.23 108.886 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.8 mt -67.18 114.33 18.0 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.756 -1.111 . . . . 60.24 110.468 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.61 113.22 2.87 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.914 1.743 . . . . 72.1 110.529 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.0 mt -91.69 90.81 7.71 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.218 -1.03 . . . . 71.54 108.218 176.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.515 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 7.1 t70 -69.66 123.34 21.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.536 -1.211 . . . . 62.12 108.028 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.1 mt . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 108.778 -0.823 . . . . 61.4 108.778 173.52 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--O 1.244 0.776 0 N-CA-C 109.23 -0.656 . . . . 74.1 109.23 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.05 61.92 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-O 121.036 0.242 . . . . 73.12 112.792 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 45.0 tt0 -65.82 -56.59 11.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.397 1.079 . . . . 64.12 110.223 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.33 -38.6 74.32 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.294 0.638 . . . . 65.11 112.454 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.778 HD21 HG21 ' A' ' 20' ' ' VAL . 37.2 tp -59.99 -54.24 48.38 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.922 0.764 . . . . 73.34 111.029 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.667 ' HB3' HD13 ' A' ' 54' ' ' LEU . 5.6 ptm180 -67.42 -39.57 85.47 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.41 0.444 . . . . 74.24 111.434 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -67.53 -30.57 70.26 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.146 0.578 . . . . 73.24 110.586 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.5 tp -64.28 -36.93 85.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.821 0.848 . . . . 73.51 110.327 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 22.6 mt -76.6 -35.9 57.83 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.713 0.805 . . . . 72.34 110.169 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.8 -33.0 64.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.264 1.026 . . . . 53.41 111.769 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -77.83 -45.09 25.36 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.111 0.481 . . . . 54.41 109.978 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -71.48 -56.91 5.01 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.266 -0.879 . . . . 74.22 111.35 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -112.86 -11.83 13.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.805 0.668 . . . . 73.41 112.805 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 6.73 85.24 Favored Glycine 0 N--CA 1.477 1.392 0 N-CA-C 114.249 0.46 . . . . 70.31 114.249 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.6 m-85 -137.82 146.28 43.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.64 -0.874 . . . . 75.53 108.64 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -86.6 94.63 9.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 107.123 -1.436 . . . . 42.11 107.123 173.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 81.5 m-85 -83.31 156.77 22.89 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.069 0.948 . . . . 55.21 111.401 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.23 145.84 41.63 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.76 -0.83 . . . . 72.53 108.76 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.778 HG21 HD21 ' A' ' 6' ' ' LEU . 4.6 m -121.29 126.36 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.071 -1.085 . . . . 74.2 108.071 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -128.62 134.04 48.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.045 0.538 . . . . 63.34 110.109 -173.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' HB3' HD11 ' A' ' 29' ' ' ILE . 67.3 m-85 -75.68 135.41 40.41 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.464 0.706 . . . . 64.53 110.239 174.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -138.07 109.42 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.037 0.935 . . . . 75.03 108.597 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -97.03 112.15 24.04 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.387 0.675 . . . . 73.2 109.548 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 t -136.02 139.28 42.99 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.223 0.609 . . . . 72.22 109.359 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 65.63 21.71 11.67 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.289 1.436 . . . . 60.23 112.073 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.17 -10.34 74.45 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.886 -0.597 . . . . 73.41 112.661 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -102.74 156.11 17.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.226 1.01 . . . . 73.0 110.577 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.3 tp -101.23 134.79 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 123.383 0.673 . . . . 74.41 110.066 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -128.36 138.07 52.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.096 1.358 . . . . 74.32 108.166 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD11 ' HB ' ' A' ' 20' ' ' VAL . 40.4 tp -99.78 101.6 12.79 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.25 -0.648 . . . . 62.2 109.25 174.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -90.85 111.7 23.21 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 110.242 -0.281 . . . . 74.34 110.242 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.31 109.31 2.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-N 115.547 -0.751 . . . . 74.54 109.193 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.01 156.47 35.94 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.986 0.914 . . . . 65.34 110.736 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -80.8 -2.67 48.09 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.448 1.099 . . . . 74.23 111.5 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 94.0 mttt -90.9 117.59 29.62 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.696 0.798 . . . . 72.22 109.737 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 164.7 12.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.252 1.021 . . . . 63.24 110.37 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.86 -12.07 59.89 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.75 0.82 . . . . 73.55 111.725 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.75 -36.12 71.66 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.612 0.765 . . . . 74.21 110.67 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 79.6 mt-30 -63.9 122.93 17.67 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.865 0.866 . . . . 72.14 110.246 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.75 -27.45 63.95 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.632 0.773 . . . . 73.22 110.982 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 m -90.86 12.67 18.69 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.785 0.834 . . . . 61.24 111.58 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -58.78 131.54 86.19 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.754 0.822 . . . . 70.32 109.816 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -60.19 -27.07 84.12 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.232 2.622 . . . . 73.32 113.552 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.6 mtm -108.43 152.06 25.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.858 0.863 . . . . 73.05 109.853 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 41.1 m-80 -77.05 179.91 5.96 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.749 0.42 . . . . 63.54 109.926 173.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.547 0.739 . . . . 74.13 111.69 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 8.5 m -76.86 -43.74 34.93 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.551 -0.295 . . . . 71.01 110.578 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 21.6 mm-40 -59.07 -38.36 79.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.816 0.847 . . . . 75.11 111.195 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -67.51 -40.65 85.13 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.453 -1.248 . . . . 64.24 110.991 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.442 HE22 ' HD2' ' A' ' 7' ' ' ARG . 58.1 tp60 -66.72 -36.48 82.57 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.574 0.226 . . . . 73.21 110.817 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 48' ' ' THR . 20.8 mm-40 -68.52 -33.51 74.26 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.969 -0.559 . . . . 73.01 110.344 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.12 -41.43 99.34 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.775 0.83 . . . . 75.32 110.33 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 7' ' ' ARG . 96.8 mt -65.64 -46.17 80.23 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.342 0.657 . . . . 73.32 111.225 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.91 -31.4 71.15 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.047 -0.524 . . . . 70.32 110.714 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -64.74 -44.16 91.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.558 0.743 . . . . 73.21 110.837 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -70.11 -48.43 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.643 -0.708 . . . . 72.35 110.76 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.01 74.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.696 0.798 . . . . 62.24 111.827 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.69 -43.32 99.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.132 0.973 . . . . 71.14 110.342 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -37.39 78.1 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.073 0.949 . . . . 72.23 110.588 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.17 -36.02 82.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.464 0.706 . . . . 74.23 110.149 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -65.63 -42.07 91.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 74.53 110.208 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.81 69.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.709 0.804 . . . . 62.04 112.052 -177.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 29' ' ' ILE . 96.0 mt -94.37 -22.51 18.27 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.816 0.847 . . . . 64.23 111.524 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 6.24 86.84 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.129 0.268 . . . . 71.42 112.696 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.79 -0.93 89.99 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 119.553 -0.582 . . . . 41.34 113.065 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.95 79.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.731 0.812 . . . . 42.1 111.217 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.62 -38.04 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 124.118 0.886 . . . . 61.51 110.094 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -64.96 -35.45 81.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.422 0.689 . . . . 64.15 111.715 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 89' ' ' ILE . 94.3 t -72.56 -45.38 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.081 0.553 . . . . 75.14 110.194 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.03 -33.91 75.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.955 0.902 . . . . 74.52 111.663 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.6 m -82.08 -48.55 11.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.512 0.725 . . . . 63.41 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.53 -50.11 75.19 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.486 0.714 . . . . 74.45 111.484 -175.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 77' ' ' THR . 23.8 mt -60.83 -39.12 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.861 0.726 . . . . 75.03 111.208 -176.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -70.26 -34.97 73.47 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 122.767 0.427 . . . . 73.23 111.453 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.079 0.552 . . . . 63.42 112.001 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 74' ' ' ILE . 6.6 t -82.38 155.51 24.67 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.037 0.446 . . . . 63.22 111.217 -168.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -102.7 -6.89 22.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.797 0.839 . . . . 73.5 110.0 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -61.06 134.31 56.94 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.496 0.718 . . . . 64.44 111.314 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -123.32 135.16 25.72 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.116 -0.947 . . . . 70.51 109.004 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.05 114.56 3.94 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 121.805 1.67 . . . . 44.01 110.205 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.96 169.42 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.861 1.264 . . . . 74.25 109.809 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.12 97.53 0.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.744 0.653 . . . . 64.22 109.78 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.59 -14.44 35.42 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.655 -0.702 . . . . 25.42 113.229 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -122.78 109.53 14.33 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 109.052 -0.721 . . . . 71.05 109.052 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.63 153.58 20.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.737 0.815 . . . . 64.23 110.68 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.2 t -84.34 94.02 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 108.05 -1.093 . . . . 71.02 108.05 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.5 t -78.61 102.63 8.07 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.699 -0.852 . . . . 70.13 108.699 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.497 HD13 HG13 ' A' ' 70' ' ' VAL . 60.7 mt -86.18 112.84 48.58 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 123.754 0.822 . . . . 74.21 109.04 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 113.97 3.83 Favored 'Trans proline' 0 C--N 1.369 1.611 0 C-N-CA 121.845 1.697 . . . . 73.2 110.638 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.1 mt -78.32 92.77 4.57 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.9 -1.148 . . . . 64.5 107.9 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.6 94.28 0.41 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.33 -1.305 . . . . 75.21 109.614 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 123.082 0.553 . . . . 62.33 110.601 -174.537 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 110.679 -0.119 . . . . 72.21 110.679 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.37 -22.4 69.34 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.274 0.359 . . . . 53.04 112.483 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -61.79 -54.99 34.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.875 0.87 . . . . 71.34 109.765 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.01 -35.75 81.39 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.421 0.689 . . . . 55.31 111.455 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 20' ' ' VAL . 64.6 tp -63.15 -45.39 92.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.044 0.937 . . . . 72.53 109.88 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.549 ' HB2' HD13 ' A' ' 54' ' ' LEU . 69.3 ttt180 -66.78 -42.9 85.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.539 0.736 . . . . 73.25 110.669 177.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.01 -26.8 68.43 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.532 0.733 . . . . 74.51 111.272 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 71' ' ' LYS . 50.4 tp -68.02 -37.55 81.53 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.745 0.818 . . . . 64.11 110.172 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.0 mt -74.92 -34.9 62.2 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.685 0.794 . . . . 72.31 109.935 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.428 HD21 ' OG ' ' A' ' 17' ' ' SER . 97.0 mt -73.72 -30.72 63.0 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.216 1.007 . . . . 62.43 110.868 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.26 -47.72 22.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.378 0.671 . . . . 74.24 109.881 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -75.86 -62.26 1.65 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.317 -0.856 . . . . 72.12 112.068 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -106.15 -13.31 15.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.694 0.398 . . . . 75.24 111.757 -172.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 11' ' ' LEU . . . 82.42 13.8 77.75 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 115.024 0.77 . . . . 62.04 115.024 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 91.4 m-85 -138.0 150.65 47.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.149 0.58 . . . . 71.14 110.536 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.428 ' OG ' HD21 ' A' ' 11' ' ' LEU . 18.0 m -85.82 71.59 10.64 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.516 -0.765 . . . . 71.31 109.74 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 94.3 m-85 -70.25 146.43 50.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.048 0.539 . . . . 63.31 111.264 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -75.91 137.16 40.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.753 -0.832 . . . . 53.45 108.753 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 33' ' ' VAL . 6.1 m -113.92 124.18 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 108.952 -0.759 . . . . 72.52 108.952 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.39 129.4 55.83 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.555 0.742 . . . . 63.53 110.76 -170.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.511 ' HB3' HD11 ' A' ' 29' ' ' ILE . 29.6 m-85 -74.62 129.03 36.99 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 122.549 0.34 . . . . 71.41 110.246 167.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -134.52 118.22 17.07 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.291 -1.003 . . . . 53.23 108.291 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -99.05 113.22 25.31 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.279 0.631 . . . . 73.52 110.727 -173.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -139.12 139.9 37.78 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.278 -0.638 . . . . 60.04 109.278 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 70.35 17.65 6.93 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.441 1.496 . . . . 70.14 112.106 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.19 -3.13 85.61 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.534 -0.303 . . . . 43.51 112.495 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -101.46 165.78 11.07 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 124.365 1.066 . . . . 71.0 109.717 -174.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 22' ' ' PHE . 8.8 tp -120.05 130.43 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.31 0.576 . . . . 51.35 110.321 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.02 125.23 36.88 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.681 1.193 . . . . 72.53 109.254 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.34 97.35 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 109.57 -0.53 . . . . 61.05 109.57 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -85.43 107.02 17.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.914 0.886 . . . . 72.22 110.194 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 20' ' ' VAL . 26.5 t -72.67 106.49 2.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 174.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.6 mmt -63.28 147.31 51.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.205 1.002 . . . . 64.21 111.618 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 30.9 p90 -73.19 -12.78 61.0 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.351 1.061 . . . . 73.31 111.937 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -86.21 123.24 31.26 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.333 -0.617 . . . . 60.35 109.333 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -118.15 161.31 20.08 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.568 1.147 . . . . 74.31 109.949 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 47' ' ' GLU . 33.2 tp -68.42 -21.38 64.67 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.368 0.667 . . . . 71.05 112.097 -169.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -68.32 -10.33 54.05 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 123.527 0.731 . . . . 73.2 110.928 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -90.9 137.08 32.63 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.725 0.81 . . . . 63.21 111.554 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.4 -20.31 59.0 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.804 0.842 . . . . 72.25 110.944 172.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -75.67 -5.29 44.81 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.22 1.008 . . . . 65.11 111.845 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.71 120.15 66.29 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.762 0.825 . . . . 75.13 109.281 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.53 -3.91 14.33 Favored 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.053 2.502 . . . . 74.51 113.495 -171.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.3 mtp -114.47 155.02 27.15 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.462 1.105 . . . . 42.11 109.151 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.568 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 83.8 m-20 -80.32 172.71 13.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.792 -0.64 . . . . 60.3 109.545 172.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' HA ' HD11 ' A' ' 38' ' ' LEU . 40.1 mt-10 -67.74 -34.34 76.63 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.497 0.719 . . . . 55.01 111.512 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 32.9 m -70.0 -45.2 67.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.409 0.683 . . . . 72.3 110.051 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 9.5 mm-40 -58.06 -42.57 85.77 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.551 0.74 . . . . 64.1 110.374 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -66.23 -43.17 87.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.67 -1.15 . . . . 70.11 111.415 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' LEU . 56.2 tp60 -67.02 -35.22 79.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.285 0.634 . . . . 73.11 111.159 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.0 mm-40 -74.23 -36.32 63.9 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.194 -0.457 . . . . 42.13 110.153 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -59.95 -40.9 90.58 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.963 0.905 . . . . 74.45 110.592 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 7' ' ' ARG . 70.3 mt -58.41 -51.45 69.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.016 0.927 . . . . 74.14 111.418 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.04 -22.97 55.13 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.363 -0.835 . . . . 71.45 110.78 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -69.64 -47.03 64.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.687 0.795 . . . . 73.12 109.559 171.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 40.5 t -62.44 -49.22 84.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 115.608 -0.723 . . . . 63.24 110.398 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.49 67.38 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.885 0.874 . . . . 52.34 112.147 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.62 -48.71 71.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.011 0.925 . . . . 71.42 110.078 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -70.48 -32.83 70.5 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.899 -0.591 . . . . 74.44 111.78 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 76.6 mt -59.6 -41.61 90.7 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.984 0.421 . . . . 74.02 109.946 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -70.02 -46.56 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.198 0.599 . . . . 73.4 110.814 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.64 77.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.991 0.916 . . . . 63.13 112.43 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.03 -22.09 19.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.831 0.853 . . . . 71.22 110.905 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.49 4.36 62.37 Favored Glycine 0 N--CA 1.478 1.498 0 O-C-N 123.36 0.413 . . . . 42.33 112.936 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 5.77 81.81 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 118.96 -0.911 . . . . 75.43 114.231 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.79 -46.47 81.93 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 118.199 0.999 . . . . 61.31 111.221 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.26 -36.38 76.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 114.956 -1.02 . . . . 55.03 109.638 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -61.6 -39.54 91.57 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.379 0.672 . . . . 54.05 111.52 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 89' ' ' ILE . 59.0 t -65.06 -52.5 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.629 0.771 . . . . 72.44 110.486 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 9' ' ' LEU . 46.7 mtpt -60.54 -39.66 88.68 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.69 -1.141 . . . . 74.12 111.359 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -66.4 -50.93 61.79 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.216 0.606 . . . . 72.2 110.018 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -58.08 -51.4 69.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.892 0.745 . . . . 72.4 111.149 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.7 -41.02 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.904 0.882 . . . . 61.1 111.016 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -72.9 -23.78 60.76 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.341 0.656 . . . . 74.14 111.844 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.46 -52.06 8.09 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.857 0.463 . . . . 71.2 110.499 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 t -72.67 177.92 4.45 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.692 0.797 . . . . 60.31 111.407 -174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -132.04 -2.47 3.61 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.694 0.798 . . . . 71.24 109.592 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -66.65 126.85 30.26 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.954 0.784 . . . . 71.24 110.819 -169.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -94.67 141.21 23.09 Favored Pre-proline 0 C--O 1.243 0.733 0 O-C-N 124.738 1.274 . . . . 72.12 109.575 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 22.1 Cg_exo -63.85 119.82 7.0 Favored 'Trans proline' 0 C--N 1.364 1.365 0 C-N-CA 122.195 1.93 . . . . 75.4 110.119 171.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 41.1 ttm180 -126.14 156.64 39.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.216 1.407 . . . . 73.25 108.353 -171.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.99 106.52 0.51 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.567 0.347 . . . . 62.5 110.546 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -24.1 28.18 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.685 -0.689 . . . . 63.05 112.51 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 8.5 tmtm? -110.4 104.25 12.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.377 1.071 . . . . 53.14 109.517 -177.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.9 144.04 26.79 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.225 -0.658 . . . . 74.1 109.225 170.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.529 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.9 t -84.21 88.44 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 107.907 -1.145 . . . . 63.43 107.907 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -80.2 100.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.25 -0.887 . . . . 51.42 109.561 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -81.65 111.78 28.75 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.53 1.132 . . . . 74.11 109.398 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.83 114.12 3.95 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 121.75 1.633 . . . . 72.35 111.012 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.5 mt -81.77 92.73 6.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.888 -1.153 . . . . 64.01 107.888 174.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.35 98.84 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.401 -0.818 . . . . 64.3 109.066 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.9 mt . . . . . 0 C--O 1.239 0.512 0 CA-C-N 115.46 -0.791 . . . . 70.31 109.359 -178.441 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 p . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 107.894 -1.15 . . . . 75.25 107.894 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.57 68.53 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.927 -0.469 . . . . 72.44 111.927 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.01 -47.1 60.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.443 1.097 . . . . 73.11 110.288 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 24.9 mm-40 -62.66 -36.17 81.98 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.793 0.437 . . . . 73.31 111.221 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 20' ' ' VAL . 40.6 tp -61.37 -50.55 72.42 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.162 -0.926 . . . . 54.05 110.405 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' ' 54' ' ' LEU . 8.0 ptm180 -70.11 -35.21 73.97 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.373 0.421 . . . . 70.43 111.61 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -67.28 -34.06 76.62 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.011 0.524 . . . . 64.23 110.876 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 71' ' ' LYS . 65.8 tp -60.25 -40.33 89.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.663 0.785 . . . . 72.24 110.418 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 19.2 mt -75.63 -32.41 60.25 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.847 0.859 . . . . 74.42 110.219 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.41 -27.24 46.63 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.159 0.984 . . . . 65.41 112.112 -177.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -87.12 -43.88 11.94 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.032 0.533 . . . . 70.53 109.907 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -80.21 -44.92 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.648 -0.251 . . . . 72.53 111.225 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -114.61 -10.58 12.48 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.67 0.618 . . . . 75.35 112.67 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.75 5.1 89.54 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 114.572 0.589 . . . . 64.32 114.572 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -141.19 147.54 38.52 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.158 0.983 . . . . 74.42 109.395 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -92.62 86.16 5.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.415 -0.958 . . . . 62.22 108.415 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -81.53 156.96 24.99 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.819 0.848 . . . . 73.52 112.307 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.51 164.6 24.58 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 108.568 -0.901 . . . . 70.54 108.568 171.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 6' ' ' LEU . 5.9 m -139.84 130.66 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 123.677 0.791 . . . . 62.24 110.174 -175.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -110.84 129.08 55.96 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.065 0.946 . . . . 75.25 110.719 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -79.7 102.71 9.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.953 -0.758 . . . . 74.4 108.953 167.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -111.55 112.69 24.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.254 -0.647 . . . . 73.34 109.254 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -106.4 128.72 54.25 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.379 0.672 . . . . 75.31 109.765 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 t -136.5 132.08 34.82 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 124.339 1.055 . . . . 75.41 108.831 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 64.84 18.04 11.28 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.807 1.243 . . . . 65.44 112.339 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.39 -4.58 77.03 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.26 -0.427 . . . . 61.12 113.138 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -101.32 141.16 34.61 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 55.51 109.302 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 91' ' ' LEU . 10.5 tp -103.26 136.71 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-O 121.483 0.659 . . . . 72.14 110.549 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -131.96 125.21 31.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.605 1.162 . . . . 75.11 108.218 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.8 tp -88.91 96.12 10.58 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.302 -0.999 . . . . 71.52 108.302 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.64 102.05 13.82 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.492 0.717 . . . . 71.44 110.027 -177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 20' ' ' VAL . 41.8 t -64.49 117.8 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.117 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.2 mmt -70.17 150.45 46.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.522 1.129 . . . . 70.01 111.039 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 32.5 p90 -77.16 -17.58 58.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.675 0.79 . . . . 74.15 111.737 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.29 119.08 22.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.994 0.517 . . . . 75.51 109.921 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -113.02 157.73 21.17 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.221 1.009 . . . . 74.34 110.163 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 47' ' ' GLU . 58.2 tp -59.68 -31.5 69.62 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.924 0.89 . . . . 65.05 112.33 -173.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.41 -17.54 64.76 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.662 0.785 . . . . 64.31 111.3 -173.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.01 132.13 50.96 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.067 0.547 . . . . 75.3 109.814 172.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.57 -20.03 60.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.401 0.68 . . . . 55.34 110.608 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -101.06 18.49 19.62 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.776 0.83 . . . . 74.51 110.91 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.82 121.19 83.83 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.547 -0.908 . . . . 64.42 108.547 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.88 -19.38 58.55 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.835 2.356 . . . . 61.3 114.107 -168.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.0 mtm -106.56 151.5 24.93 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.247 0.619 . . . . 73.5 110.424 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -74.06 167.34 21.72 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.689 0.796 . . . . 75.04 110.703 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HA ' HD11 ' A' ' 38' ' ' LEU . 42.7 mt-10 -61.6 -42.36 98.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.953 0.901 . . . . 61.15 111.384 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.495 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 51.8 m -65.27 -54.69 25.45 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 123.886 0.742 . . . . 74.32 110.38 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.167 0.987 . . . . 71.24 111.663 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.98 -44.55 97.2 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.111 -0.95 . . . . 65.3 110.725 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -68.58 -29.59 68.16 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.741 0.416 . . . . 62.33 110.882 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 mm-40 -74.66 -29.2 61.15 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.183 0.593 . . . . 74.13 110.442 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -64.23 -44.85 90.59 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.898 -0.779 . . . . 73.45 108.898 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 7' ' ' ARG . 83.5 mt -64.38 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.468 -0.787 . . . . 61.12 111.034 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.16 -45.37 88.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.996 0.919 . . . . 73.21 110.238 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -60.74 -49.85 75.85 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.466 0.706 . . . . 72.31 110.185 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.514 HG21 HG23 ' A' ' 20' ' ' VAL . 63.5 t -58.96 -42.9 87.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 123.95 0.9 . . . . 74.22 110.618 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.55 77.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.016 0.926 . . . . 74.03 111.734 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -74.52 -28.67 61.07 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.094 0.871 . . . . 61.32 110.458 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.78 -36.05 62.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.948 0.499 . . . . 71.42 110.532 171.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 76.1 mt -67.97 -28.58 67.57 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.454 0.645 . . . . 73.51 109.745 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -71.45 -51.11 25.57 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.11 1.364 . . . . 74.02 110.682 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.97 84.82 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.67 0.788 . . . . 63.14 111.899 -171.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.52 -25.2 26.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.876 -1.056 . . . . 72.31 111.139 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.77 31.98 28.21 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 111.645 -0.582 . . . . 62.01 111.645 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -99.91 10.46 60.44 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 119.523 -0.598 . . . . 71.25 113.549 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.04 -60.58 3.06 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.543 0.737 . . . . 62.34 112.262 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.71 -30.64 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.112 0.965 . . . . 75.0 110.211 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.68 -44.69 90.32 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.712 0.805 . . . . 64.41 111.23 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.522 ' HA ' HG21 ' A' ' 89' ' ' ILE . 72.6 t -63.45 -50.06 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.965 0.906 . . . . 74.35 110.506 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 9' ' ' LEU . 47.2 mtpt -61.13 -46.28 91.2 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.191 0.932 . . . . 63.34 111.694 -174.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.541 HG22 ' NE2' ' A' ' 76' ' ' GLN . 38.9 m -66.44 -42.46 87.64 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.266 0.979 . . . . 61.2 110.177 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD2' HG12 ' A' ' 89' ' ' ILE . 87.4 t80 -64.67 -50.12 68.27 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.343 0.402 . . . . 61.33 110.92 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.46 ' HA ' HG22 ' A' ' 77' ' ' THR . 40.7 mt -62.84 -38.23 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.648 0.779 . . . . 72.51 111.186 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.9 m -66.12 -33.25 75.35 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.297 0.639 . . . . 63.13 111.313 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.541 ' NE2' HG22 ' A' ' 72' ' ' THR . 48.1 mt-30 -83.49 -38.11 22.21 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.041 0.536 . . . . 74.22 112.318 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 74' ' ' ILE . 11.4 t -75.82 134.56 40.34 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.152 0.501 . . . . 71.44 110.066 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -104.02 12.28 34.33 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.508 0.723 . . . . 62.21 110.52 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -83.81 167.59 16.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.228 1.011 . . . . 72.3 109.989 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -131.43 153.89 81.74 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 123.543 0.737 . . . . 71.22 109.983 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.446 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 8.1 Cg_exo -71.27 120.04 6.7 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.506 2.137 . . . . 71.44 109.928 168.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -131.73 163.12 28.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.125 0.97 . . . . 73.22 109.281 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.36 101.85 0.08 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.987 0.915 . . . . 53.41 112.007 -174.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.58 -28.31 15.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 115.671 -0.695 . . . . 62.41 111.972 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -103.03 103.83 13.95 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.897 0.879 . . . . 63.42 110.57 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.61 18.82 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.005 0.522 . . . . 63.24 109.843 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.1 95.46 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 108.719 -0.845 . . . . 73.5 108.719 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.8 t -77.34 109.77 11.52 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.134 -0.691 . . . . 73.5 109.134 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 70' ' ' VAL . 66.3 mt -92.57 111.95 53.27 Favored Pre-proline 0 N--CA 1.468 0.467 0 C-N-CA 123.694 0.798 . . . . 54.31 109.708 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.89 115.36 3.39 Favored 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.082 1.855 . . . . 75.1 110.132 172.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HB2' HG23 ' A' ' 29' ' ' ILE . 74.3 mt -98.69 109.24 22.03 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.638 -1.245 . . . . 72.15 107.638 172.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.1 94.05 1.48 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-O 121.334 0.588 . . . . 65.21 109.822 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 114.957 -1.02 . . . . 52.02 108.418 166.288 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 108.26 -1.015 . . . . 72.41 108.26 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.77 -23.99 63.89 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 111.85 -0.5 . . . . 54.45 111.85 172.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -68.64 -59.25 3.26 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.56 1.144 . . . . 71.2 110.303 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.51 -43.96 89.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.567 0.747 . . . . 73.24 111.56 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 20' ' ' VAL . 52.1 tp -55.18 -50.51 69.16 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.901 1.28 . . . . 63.45 111.214 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.509 ' HB2' HD13 ' A' ' 54' ' ' LEU . 50.5 ttt180 -65.36 -40.93 94.18 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.88 0.738 . . . . 73.55 111.059 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -69.04 -20.78 64.12 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.591 -0.731 . . . . 72.23 110.884 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 tp -78.07 -34.76 50.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.286 0.634 . . . . 52.14 109.66 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.2 mt -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.642 0.777 . . . . 73.43 109.821 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.61 -33.52 35.82 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.528 1.131 . . . . 52.23 111.943 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.41 -44.32 71.62 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.216 0.606 . . . . 72.23 110.102 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -77.77 -65.04 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.499 -0.773 . . . . 72.44 110.792 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.5 m-90 -98.63 -35.35 10.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.987 0.515 . . . . 75.44 112.03 -169.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.81 9.14 54.95 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 113.753 0.261 . . . . 40.43 113.753 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -131.81 142.47 49.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.328 0.651 . . . . 70.3 109.32 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -84.34 91.43 7.78 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 109.236 -0.653 . . . . 61.2 109.236 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -87.45 150.03 24.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.211 0.604 . . . . 64.2 111.45 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.07 135.84 49.68 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.104 -0.702 . . . . 54.35 109.104 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 6' ' ' LEU . 21.9 m -123.28 125.88 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 108.539 -0.911 . . . . 65.55 108.539 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -129.5 141.49 50.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.536 0.734 . . . . 71.41 110.374 -177.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.687 ' HB3' HD11 ' A' ' 29' ' ' ILE . 62.7 m-85 -75.24 152.82 38.27 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.395 -0.82 . . . . 71.4 111.465 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -148.33 118.79 7.39 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.5 -0.773 . . . . 52.31 109.13 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -98.63 104.3 16.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.041 0.536 . . . . 75.4 110.407 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -137.21 140.02 41.44 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.772 0.829 . . . . 54.41 109.398 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 64.93 24.81 12.72 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.52 1.128 . . . . 73.21 110.836 -173.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.25 7.75 57.74 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 116.168 -0.469 . . . . 75.24 113.59 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -99.95 174.95 5.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.194 0.998 . . . . 51.15 108.796 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.7 tp -121.04 134.4 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 108.565 -0.902 . . . . 70.5 108.565 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -126.75 147.36 49.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.47 1.108 . . . . 61.5 108.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.7 tp -109.7 98.25 7.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.742 -0.836 . . . . 74.12 108.742 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -86.42 107.39 18.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 122.864 0.466 . . . . 75.33 110.024 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 22.5 t -72.63 103.29 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.156 -0.929 . . . . 63.13 108.511 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -63.26 161.21 14.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.355 1.062 . . . . 51.35 112.02 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -77.7 7.31 5.89 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.782 1.233 . . . . 75.01 112.181 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.46 101.88 13.26 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 124.166 0.986 . . . . 52.33 109.815 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -90.6 154.01 19.91 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.017 -0.734 . . . . 73.4 109.017 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 47' ' ' GLU . 49.4 tp -63.09 -17.92 62.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.507 0.723 . . . . 74.34 112.647 -174.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.66 -17.65 64.67 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.826 0.451 . . . . 72.11 111.922 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.3 136.21 49.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.04 0.536 . . . . 74.3 111.136 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.49 -16.47 54.23 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.761 0.824 . . . . 75.53 111.13 173.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 m -89.48 3.0 53.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.005 0.922 . . . . 71.13 111.626 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 27.9 t80 -62.35 128.24 90.97 Favored Pre-proline 0 CA--C 1.562 1.411 0 C-N-CA 123.705 0.802 . . . . 73.32 110.832 -174.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 34.7 Cg_exo -62.26 -32.13 82.18 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.107 2.538 . . . . 64.44 114.009 -171.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 44' ' ' PRO . 3.5 mpp? -99.97 161.31 13.69 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.446 0.698 . . . . 65.32 109.868 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -80.28 -174.16 4.41 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.157 0.583 . . . . 73.33 109.851 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' A' ' 38' ' ' LEU . 42.3 mt-10 -62.89 -57.86 9.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.77 0.428 . . . . 61.45 110.766 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 67.7 m -65.19 -47.03 78.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.767 0.427 . . . . 71.51 110.199 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -53.7 -35.68 61.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.442 0.697 . . . . 72.42 112.586 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -59.9 -47.29 86.38 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.887 0.475 . . . . 72.45 110.804 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -69.56 -30.93 68.83 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.942 0.497 . . . . 61.14 111.102 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.3 mm-40 -70.29 -33.6 71.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.938 0.495 . . . . 55.14 110.151 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.28 -43.05 87.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.028 0.931 . . . . 63.14 109.628 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 7' ' ' ARG . 96.8 mt -63.73 -40.08 95.86 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.496 0.719 . . . . 74.11 111.082 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.86 -41.39 97.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.449 1.1 . . . . 72.22 110.541 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.8 t -69.1 -39.97 78.66 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.217 -0.901 . . . . 52.1 111.292 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 40.2 t -67.2 -45.83 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.681 0.792 . . . . 62.5 110.92 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.21 68.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.924 0.89 . . . . 74.33 111.966 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.47 -42.21 98.58 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 41.12 110.28 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -71.33 -36.98 71.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.83 0.452 . . . . 73.0 111.01 174.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.42 -36.69 81.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.761 0.315 . . . . 72.11 110.452 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -71.25 -53.38 14.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.74 0.816 . . . . 74.12 110.723 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.925 0.89 . . . . 73.44 112.437 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.2 mt -81.74 -26.98 34.09 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.173 0.989 . . . . 73.32 111.721 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.59 12.96 71.25 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.959 -0.456 . . . . 61.34 111.959 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.01 -3.9 88.44 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 119.86 -0.411 . . . . 51.31 113.169 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.86 78.13 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 74.33 111.635 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.01 -35.03 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 114.713 -1.131 . . . . 55.11 110.587 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.8 -39.86 95.57 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.237 0.615 . . . . 72.31 110.813 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.457 ' HA ' HG21 ' A' ' 89' ' ' ILE . 86.1 t -67.47 -47.48 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.915 0.886 . . . . 72.55 110.718 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -58.95 -49.5 77.62 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.363 1.039 . . . . 70.44 110.995 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.1 m -66.62 -44.52 81.83 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.096 0.872 . . . . 73.35 111.105 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.3 t80 -66.31 -54.36 25.66 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.58 0.55 . . . . 74.34 111.11 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -58.05 -38.96 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 124.053 0.846 . . . . 73.33 111.384 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -65.74 -47.95 73.56 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.406 0.683 . . . . 75.22 111.695 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.05 -38.03 64.11 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.313 0.645 . . . . 72.32 112.552 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -70.02 162.86 27.34 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 72.44 110.469 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -129.59 16.07 5.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.872 0.869 . . . . 73.32 109.808 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -89.09 137.63 32.14 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.539 0.736 . . . . 72.13 110.646 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 64.0 mtt85 -110.17 142.65 26.39 Favored Pre-proline 0 C--O 1.239 0.505 0 CA-C-N 114.421 -1.263 . . . . 65.11 109.528 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.42 118.05 4.9 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 122.493 2.129 . . . . 40.24 110.821 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -128.69 155.99 44.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.414 1.086 . . . . 74.13 109.34 -170.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.87 92.06 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.693 0.797 . . . . 74.52 112.055 -174.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -18.81 19.55 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.856 -0.611 . . . . 61.11 112.915 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.41 103.27 8.82 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.647 0.779 . . . . 72.54 110.246 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.41 164.21 21.15 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.865 0.866 . . . . 60.22 110.768 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.9 t -92.69 89.76 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 N-CA-C 108.269 -1.011 . . . . 62.13 108.269 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -78.56 100.06 6.78 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 115.895 -0.593 . . . . 23.24 109.656 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -81.69 115.9 59.79 Favored Pre-proline 0 N--CA 1.47 0.573 0 C-N-CA 123.871 0.868 . . . . 71.41 109.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.79 113.67 3.84 Favored 'Trans proline' 0 C--N 1.369 1.64 0 C-N-CA 121.73 1.62 . . . . 71.23 110.548 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.554 ' HB2' HG23 ' A' ' 29' ' ' ILE . 49.3 mt -86.81 92.47 8.98 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.711 -1.218 . . . . 72.43 107.711 174.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.75 96.11 0.71 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.841 -1.072 . . . . 50.13 109.34 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 N--CA 1.473 0.715 0 CA-C-N 115.613 -0.721 . . . . 74.14 111.175 -178.706 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 p . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 110.753 -0.092 . . . . 62.15 110.753 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.18 -20.51 71.19 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 112.201 -0.36 . . . . 62.21 112.201 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.71 -54.22 14.82 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.123 0.969 . . . . 75.14 110.037 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.64 -40.4 91.84 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.513 0.725 . . . . 74.44 111.075 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.655 HD21 HG21 ' A' ' 20' ' ' VAL . 37.7 tp -62.83 -41.77 99.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.91 0.884 . . . . 64.54 110.494 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.464 ' HB2' HD13 ' A' ' 54' ' ' LEU . 55.5 ttt180 -65.79 -44.73 84.85 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.136 0.574 . . . . 71.44 110.298 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -68.15 -22.15 64.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.221 1.008 . . . . 75.45 111.696 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 tp -74.75 -43.35 55.39 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.726 0.81 . . . . 72.42 109.787 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 33.0 mt -71.82 -33.97 68.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.158 -0.928 . . . . 72.11 110.394 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.69 -45.86 41.66 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.677 0.791 . . . . 64.12 111.663 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -58.54 -41.84 86.47 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.044 0.449 . . . . 71.52 110.429 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -77.21 -65.95 0.89 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.213 -0.903 . . . . 64.41 111.532 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -105.3 -10.99 16.69 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.129 0.788 . . . . 64.23 113.129 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.01 4.43 89.99 Favored Glycine 0 N--CA 1.474 1.21 0 N-CA-C 113.603 0.201 . . . . 63.24 113.603 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -139.92 138.39 35.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.105 0.962 . . . . 61.23 109.11 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -87.79 104.69 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.428 0.691 . . . . 63.0 109.61 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.8 159.95 14.97 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.836 0.854 . . . . 70.35 111.876 -176.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.71 120.26 15.19 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.741 -0.663 . . . . 74.11 109.455 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.655 HG21 HD21 ' A' ' 6' ' ' LEU . 12.8 m -103.99 126.02 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.092 -1.077 . . . . 72.13 108.092 174.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -137.53 138.23 39.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.966 0.412 . . . . 73.31 110.721 -173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -72.74 136.6 45.54 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.348 -0.842 . . . . 75.13 110.224 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -143.82 116.35 8.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.473 -1.306 . . . . 75.35 107.473 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -107.21 146.69 31.09 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.137 0.575 . . . . 74.45 110.757 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -144.79 122.16 11.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.804 0.842 . . . . 73.21 109.196 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 63.39 23.49 13.75 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.904 1.281 . . . . 60.13 112.857 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 -7.42 54.52 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 120.204 -0.22 . . . . 73.42 113.463 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -100.28 146.83 26.45 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.737 0.815 . . . . 72.13 110.151 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.467 HG21 HD12 ' A' ' 93' ' ' LEU . 6.2 tp -112.55 133.97 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.472 0.709 . . . . 72.53 111.111 -177.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -131.46 120.78 23.48 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.268 1.427 . . . . 62.14 108.295 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 tp -89.72 101.88 14.57 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.01 -0.737 . . . . 72.13 109.01 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.34 114.8 24.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.166 0.587 . . . . 62.21 110.629 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 20' ' ' VAL . 22.0 t -80.98 100.93 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.309 -0.997 . . . . 51.22 108.309 172.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.417 ' SD ' ' HB2' ' A' ' 86' ' ' ALA . 18.8 mmt -70.49 161.28 30.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.013 0.925 . . . . 70.23 112.658 -176.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -77.25 -3.33 39.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.832 1.253 . . . . 73.53 112.458 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.77 121.9 33.04 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.7 0.8 . . . . 75.25 109.222 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -120.92 160.01 24.36 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.357 1.063 . . . . 70.43 110.065 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 47' ' ' GLU . 41.5 tp -65.86 -23.73 66.72 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.679 0.792 . . . . 75.23 112.87 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.93 -9.16 50.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.184 0.447 . . . . 72.42 111.518 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -86.83 136.53 32.94 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.773 0.429 . . . . 71.03 110.476 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.96 -22.84 58.32 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.399 -0.819 . . . . 74.22 110.023 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 p -80.83 8.74 7.53 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.124 0.969 . . . . 73.41 112.151 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -71.56 129.1 89.06 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.617 0.767 . . . . 61.31 109.713 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.13 -2.41 12.27 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 123.032 2.488 . . . . 64.32 113.915 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.1 mtm -119.44 147.58 44.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.262 -0.644 . . . . 72.12 109.262 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -72.1 173.22 8.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.174 0.59 . . . . 71.24 109.902 173.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HA ' HD11 ' A' ' 38' ' ' LEU . 31.3 mt-10 -62.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.824 0.85 . . . . 55.2 111.281 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 59.8 m -72.71 -47.77 44.36 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.532 -0.758 . . . . 74.0 110.536 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.569 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.7 mm-40 -61.01 -30.15 70.13 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.179 0.592 . . . . 72.32 111.395 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.414 ' HD2' HD22 ' A' ' 38' ' ' LEU . 43.0 t80 -70.13 -44.72 68.31 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.453 0.701 . . . . 74.53 111.16 176.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.7 -35.24 79.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.831 0.348 . . . . 72.43 110.485 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.3 mm-40 -66.37 -36.88 83.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.878 -0.601 . . . . 72.44 110.522 174.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.5 -39.52 85.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.499 0.72 . . . . 75.13 110.976 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 7' ' ' ARG . 78.5 mt -61.44 -46.86 88.33 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.947 0.499 . . . . 65.22 110.785 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.25 -28.31 61.17 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.442 -0.799 . . . . 72.21 110.869 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -67.88 -49.58 61.22 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.171 0.588 . . . . 62.41 110.289 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 48.7 t -62.35 -45.81 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.042 -0.981 . . . . 64.22 110.025 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -21.79 63.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.299 0.64 . . . . 50.44 112.005 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -72.97 -36.37 67.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.307 0.643 . . . . 73.25 109.939 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.66 -36.02 67.85 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.205 0.202 . . . . 71.04 110.864 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.7 mt -66.6 -32.03 73.11 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.206 0.526 . . . . 63.24 109.984 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -68.41 -45.35 72.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.529 1.132 . . . . 75.01 110.729 171.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.93 57.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.821 0.848 . . . . 74.03 112.575 -172.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' HD13 ' A' ' 93' ' ' LEU . 91.6 mt -103.6 -19.21 14.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.314 0.646 . . . . 73.15 111.21 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.77 8.68 61.85 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 123.332 0.395 . . . . 64.2 113.3 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.415 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -78.81 -6.13 88.54 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-O 119.516 -0.602 . . . . 54.41 113.706 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.77 43.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.28 1.032 . . . . 75.03 112.834 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.76 -31.61 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.291 -0.868 . . . . 74.3 110.118 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -67.68 -37.53 82.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.493 0.717 . . . . 64.13 111.245 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 66' ' ' GLY . 77.3 t -68.73 -42.92 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.977 0.911 . . . . 63.12 110.185 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -64.35 -42.38 96.26 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.496 -0.775 . . . . 75.23 111.094 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -62.88 -46.34 88.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.89 0.876 . . . . 64.11 110.307 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.442 ' CD2' HG12 ' A' ' 89' ' ' ILE . 60.0 t80 -68.67 -57.53 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.572 -0.74 . . . . 71.25 111.098 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.1 mt -59.24 -38.28 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.676 0.79 . . . . 73.23 111.987 -174.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 m -69.04 -46.18 68.54 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.835 0.454 . . . . 65.44 111.355 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -82.16 -33.66 29.43 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.616 0.598 . . . . 61.04 112.616 -173.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.5 t -72.28 157.21 38.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.94 0.496 . . . . 72.24 109.676 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -117.37 10.59 13.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.283 0.633 . . . . 72.13 110.83 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.75 142.56 54.92 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.591 0.757 . . . . 74.2 110.288 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -111.08 148.3 38.38 Favored Pre-proline 0 N--CA 1.471 0.62 0 N-CA-C 109.358 -0.608 . . . . 73.34 109.358 169.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.33 120.35 8.06 Favored 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.613 2.209 . . . . 63.23 110.551 168.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -122.16 154.83 36.9 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.383 1.073 . . . . 74.22 108.864 -171.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.71 107.08 0.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.949 0.5 . . . . 43.34 110.534 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.66 -19.48 54.22 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 119.831 -0.427 . . . . 75.43 113.045 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -122.5 110.44 15.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.265 0.626 . . . . 52.23 110.527 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HB2' ' SD ' ' A' ' 34' ' ' MET . . . -83.01 163.53 20.92 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.257 0.623 . . . . 74.13 110.554 171.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 47.4 t -85.57 90.36 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 108.138 -1.06 . . . . 61.03 108.138 173.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -78.23 105.36 9.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.711 0.804 . . . . 74.01 110.025 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 73' ' ' PHE . 60.8 mt -86.77 108.53 18.71 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 124.186 0.994 . . . . 52.04 109.354 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.49 111.52 3.24 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.684 1.589 . . . . 72.1 109.461 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.453 ' HB2' HG23 ' A' ' 29' ' ' ILE . 92.0 mt -82.95 108.88 16.59 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.652 -0.499 . . . . 55.42 109.652 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.45 86.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.175 0.99 . . . . 61.35 108.802 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 64' ' ' LEU . 68.5 mt . . . . . 0 N--CA 1.48 1.049 0 C-N-CA 123.455 0.702 . . . . 74.12 110.982 -174.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 109.776 -0.453 . . . . 74.14 109.776 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.3 73.02 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.165 0.291 . . . . 40.43 112.464 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.61 -54.46 35.46 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.178 0.991 . . . . 61.11 109.364 171.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.44 -27.64 66.36 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.138 0.975 . . . . 63.24 111.947 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 20' ' ' VAL . 56.2 tp -71.82 -44.09 64.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.396 -0.594 . . . . 70.3 109.396 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.582 ' HB2' HD13 ' A' ' 54' ' ' LEU . 55.9 ttt180 -62.52 -42.71 99.7 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.787 0.679 . . . . 74.12 110.376 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -59.46 -40.74 87.83 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.117 -0.947 . . . . 74.22 110.604 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -29.7 70.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.982 0.513 . . . . 72.34 111.39 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 26.5 mt -79.82 -34.81 39.17 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.654 0.781 . . . . 64.4 110.638 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.27 -52.78 8.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.005 0.922 . . . . 74.03 111.229 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.59 -36.57 64.55 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.457 1.103 . . . . 65.4 112.031 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -81.63 -65.65 0.99 Allowed 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.264 0.352 . . . . 75.21 111.265 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -101.87 -33.9 9.6 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.468 0.707 . . . . 73.03 112.33 -168.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.04 41.38 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.16 -0.244 . . . . 45.12 113.527 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -135.54 141.31 45.2 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.295 0.638 . . . . 74.44 109.739 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 p -82.98 78.99 9.47 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.792 0.837 . . . . 73.15 109.687 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -72.22 156.53 39.04 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.599 0.714 . . . . 73.23 112.793 -175.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.23 142.68 36.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 107.854 -1.165 . . . . 64.34 107.854 167.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 6' ' ' LEU . 5.3 m -119.97 125.6 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.647 -0.872 . . . . 73.24 108.647 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.42 125.89 45.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.929 0.892 . . . . 75.11 109.819 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.3 m-85 -69.61 149.92 47.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.489 0.715 . . . . 64.41 110.223 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -142.13 114.7 8.46 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.468 0.707 . . . . 71.33 109.196 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -107.64 110.07 21.85 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.778 0.831 . . . . 75.2 109.571 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -144.63 139.93 28.37 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.248 1.019 . . . . 72.43 109.014 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 64.38 20.1 12.04 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.598 1.159 . . . . 64.11 111.011 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.35 83.24 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 116.267 -0.424 . . . . 53.12 113.377 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -102.9 160.96 14.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.513 1.125 . . . . 70.01 109.778 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.4 tp -118.04 133.92 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.54 0.686 . . . . 72.53 110.428 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -131.34 123.27 27.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.132 1.373 . . . . 74.0 107.793 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -90.28 97.65 11.31 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.024 -0.732 . . . . 23.12 109.024 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -87.81 102.18 14.42 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.743 0.817 . . . . 54.42 110.274 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 51.7 t -66.96 113.83 3.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.509 -0.769 . . . . 64.03 109.224 175.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmt -70.17 156.39 39.29 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.355 1.062 . . . . 74.53 111.379 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.2 p90 -77.13 -8.11 56.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.473 1.109 . . . . 75.21 111.786 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -81.21 136.24 35.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.261 1.024 . . . . 73.21 108.803 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -135.25 157.93 45.65 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.287 0.635 . . . . 75.41 110.057 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 50' ' ' TYR . 40.5 tp -65.31 -19.99 66.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.846 0.859 . . . . 71.05 112.149 -171.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -68.9 -23.69 64.22 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 122.329 0.252 . . . . 74.33 111.071 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -73.78 131.04 41.15 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.259 0.624 . . . . 74.11 110.503 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.66 63.64 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.943 0.897 . . . . 75.44 110.829 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 m -79.58 6.87 9.44 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.239 1.016 . . . . 51.14 112.51 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -70.48 124.1 90.24 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.325 0.65 . . . . 51.12 109.585 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -82.09 4.92 6.68 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 123.145 2.563 . . . . 73.43 114.187 -170.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.414 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 72.7 mtm -121.87 154.75 36.67 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.876 -0.787 . . . . 71.13 108.876 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.668 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 1.6 m-20 -68.6 167.46 15.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.172 -0.677 . . . . 74.13 109.172 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.37 -38.14 89.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.127 -0.488 . . . . 50.2 110.099 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 17.3 m -62.17 -51.88 66.04 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 123.599 0.562 . . . . 75.44 109.764 173.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.668 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.2 mm-40 -59.82 -32.74 70.94 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.722 0.809 . . . . 73.3 111.699 -176.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 38' ' ' LEU . 39.9 t80 -65.02 -47.69 76.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.785 0.834 . . . . 73.24 110.635 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -70.39 -34.35 72.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.569 0.347 . . . . 74.15 110.492 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' THR . 16.6 mm-40 -62.32 -43.56 98.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.669 0.788 . . . . 71.23 109.784 173.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.05 -44.42 96.72 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.579 1.174 . . . . 71.02 110.512 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.582 HD13 ' HB2' ' A' ' 7' ' ' ARG . 88.6 mt -60.43 -49.22 78.42 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.855 0.722 . . . . 62.33 111.125 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -71.09 -28.65 64.49 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.063 0.852 . . . . 75.03 110.404 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 t -70.84 -40.32 72.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.417 0.687 . . . . 71.24 110.026 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 37.9 t -67.66 -49.95 65.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 123.722 0.809 . . . . 62.23 110.281 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -69.45 -27.07 64.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.754 0.822 . . . . 65.33 111.639 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.08 -41.01 74.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.796 0.838 . . . . 51.53 109.861 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -40.36 89.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.346 1.059 . . . . 74.3 109.741 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 94.8 mt -65.32 -39.95 93.09 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.06 0.944 . . . . 71.15 110.073 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.81 -39.49 93.67 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.247 1.019 . . . . 75.44 110.703 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.89 90.4 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.434 0.694 . . . . 33.24 110.691 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.05 -27.9 60.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.906 0.882 . . . . 71.4 112.011 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.4 2.79 84.95 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 116.46 -0.336 . . . . 71.23 112.266 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.62 2.31 88.14 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 119.673 -0.515 . . . . 74.24 113.25 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.317 0.647 . . . . 65.23 110.836 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.39 -34.6 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.907 0.883 . . . . 65.21 110.142 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 17.2 mm-40 -68.39 -36.32 78.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.106 0.563 . . . . 74.34 111.771 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' HG21 ' A' ' 89' ' ' ILE . 80.9 t -65.14 -44.94 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 123.831 0.707 . . . . 75.24 110.172 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -65.09 -51.6 60.44 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.228 -0.896 . . . . 71.53 111.264 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -61.82 -40.26 94.63 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.6 1.16 . . . . 74.11 111.29 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CD2' HG12 ' A' ' 89' ' ' ILE . 66.6 t80 -66.99 -61.37 1.97 Allowed 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.226 0.611 . . . . 74.4 110.084 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mt -55.49 -43.42 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 124.275 1.03 . . . . 65.11 112.117 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -57.51 -53.42 58.39 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.459 0.704 . . . . 71.43 111.701 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -77.76 -41.69 36.66 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.067 -0.515 . . . . 65.11 111.975 -171.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.5 t -72.95 148.57 44.16 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.8 0.44 . . . . 75.34 110.265 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -106.97 14.86 25.98 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.246 0.618 . . . . 71.15 110.591 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.55 122.23 17.11 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 123.233 0.613 . . . . 74.32 110.251 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -108.36 133.12 20.69 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 124.383 1.073 . . . . 75.2 108.95 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.22 122.89 12.31 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.41 2.74 . . . . 74.13 111.832 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 39.0 ttm180 -131.22 155.74 46.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.118 1.367 . . . . 75.23 108.789 -171.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.02 104.29 0.55 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.348 0.659 . . . . 74.42 110.202 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.9 -10.16 58.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 115.763 -0.653 . . . . 71.25 113.364 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 7.7 tmtm? -124.2 103.9 8.52 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.96 0.904 . . . . 70.31 108.742 177.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 148.72 24.7 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.541 0.737 . . . . 71.2 109.669 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.1 t -78.96 89.18 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.761 -1.199 . . . . 74.45 107.761 172.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 t -78.44 93.4 4.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.638 -1.165 . . . . 72.13 109.059 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' VAL . 56.7 mt -77.43 110.86 13.87 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.043 -0.98 . . . . 72.34 108.946 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.38 112.99 3.66 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 121.351 1.367 . . . . 74.45 109.989 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 29' ' ' ILE . 61.2 mt -77.23 91.03 3.73 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.338 -0.986 . . . . 75.42 108.338 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.481 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 12.1 t70 -70.47 99.99 1.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.439 -1.255 . . . . 71.11 108.67 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.466 0.354 0 CA-C-N 115.025 -0.989 . . . . 74.34 110.89 -173.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 108.155 -1.054 . . . . 73.54 108.155 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.62 -30.98 69.81 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 123.037 0.21 . . . . 64.31 112.729 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -59.5 -56.07 26.57 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.883 0.873 . . . . 71.33 110.555 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.31 -34.13 77.03 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.678 0.791 . . . . 72.53 111.781 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 20' ' ' VAL . 39.8 tp -65.67 -44.03 87.54 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.715 0.634 . . . . 73.43 109.848 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB2' HD13 ' A' ' 54' ' ' LEU . 61.5 ttt180 -65.67 -41.48 92.41 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.214 0.606 . . . . 75.45 110.342 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -69.52 -22.05 63.62 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 71.51 111.207 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.99 -37.09 55.84 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.696 -0.483 . . . . 71.35 109.696 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 43.9 mt -76.47 -33.88 58.7 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.749 0.82 . . . . 75.22 110.545 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.75 -43.84 35.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.949 0.9 . . . . 55.51 111.428 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.35 -34.56 78.24 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.483 0.313 . . . . 71.45 110.764 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -81.68 -66.57 0.87 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.176 -0.466 . . . . 74.34 111.01 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.4 m-90 -102.68 -11.99 18.0 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.944 0.72 . . . . 74.32 112.944 -169.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.87 -1.61 87.92 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 113.707 0.243 . . . . 50.14 113.707 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -132.22 134.53 45.44 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.038 0.935 . . . . 73.21 109.58 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -85.73 93.94 8.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.213 0.605 . . . . 73.52 109.665 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 98.0 m-85 -82.72 160.42 22.36 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.331 0.652 . . . . 54.1 112.55 -176.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.14 140.54 41.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.759 -1.109 . . . . 53.03 108.29 169.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 6' ' ' LEU . 8.8 m -128.76 125.46 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.509 -0.923 . . . . 63.53 108.509 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -116.84 148.46 41.22 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.519 . . . . 70.43 109.983 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' HB3' HD11 ' A' ' 29' ' ' ILE . 45.2 m-85 -86.05 121.39 28.6 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 109.755 -0.461 . . . . 72.44 109.755 173.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.636 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 31.7 tpt180 -99.82 111.61 23.92 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.342 -0.985 . . . . 71.52 108.342 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.44 95.82 6.09 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.587 -1.264 . . . . 72.43 107.587 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 139.59 34.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.868 0.467 . . . . 74.44 109.886 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 63.53 27.84 15.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.081 1.352 . . . . 63.01 111.216 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.1 -3.36 71.66 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 115.78 -0.645 . . . . 74.14 113.677 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -101.05 163.21 12.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.29 1.036 . . . . 54.32 110.736 -171.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.8 tp -116.96 133.14 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-O 121.629 0.728 . . . . 74.04 109.994 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.636 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 59.5 m-85 -130.19 163.54 26.46 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 124.91 1.284 . . . . 75.25 108.135 177.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 tp -128.07 98.34 5.08 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.24 -0.652 . . . . 72.24 109.24 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -87.52 105.34 17.25 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.092 0.557 . . . . 74.13 110.412 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 46.6 t -68.74 103.42 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 N-CA-C 108.789 -0.819 . . . . 64.35 108.789 173.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.5 mmt -64.36 156.1 30.27 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.166 0.986 . . . . 61.51 111.51 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 44.4 p90 -77.39 -14.04 59.8 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.817 0.847 . . . . 74.21 111.638 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -78.28 110.0 12.91 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.098 0.559 . . . . 75.01 109.585 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 18.4 p90 -100.47 158.42 15.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.977 0.511 . . . . 73.35 110.195 173.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' A' ' 50' ' ' TYR . 53.9 tp -62.16 -26.95 68.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.972 0.909 . . . . 73.04 112.529 -171.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 35.3 tt0 -64.86 -23.73 67.32 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.39 0.676 . . . . 62.31 111.544 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.06 129.44 39.9 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.348 0.659 . . . . 64.21 110.415 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.39 62.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.958 0.903 . . . . 71.45 111.671 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -85.48 5.46 31.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.223 1.009 . . . . 63.53 111.825 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -68.62 123.54 88.0 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 122.873 0.469 . . . . 74.13 109.948 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.43 3.01 5.67 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.045 2.497 . . . . 73.44 114.701 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.58 157.22 42.68 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.039 0.935 . . . . 74.04 109.916 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -79.82 177.21 9.06 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.701 0.8 . . . . 70.34 109.882 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG2' HD21 ' A' ' 38' ' ' LEU . 45.8 mt-10 -64.79 -41.25 95.96 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.105 0.562 . . . . 70.41 111.731 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 m -72.33 -41.81 66.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.826 0.451 . . . . 74.23 110.69 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.62 -36.49 82.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.973 0.509 . . . . 73.2 110.858 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 54' ' ' LEU . 35.7 t80 -68.31 -39.94 81.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.089 0.955 . . . . 73.02 110.664 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -76.66 -31.16 57.14 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 122.267 0.227 . . . . 62.31 110.587 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.47 -35.58 80.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.139 0.575 . . . . 64.41 110.4 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.78 -46.52 78.43 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.233 -0.894 . . . . 64.3 109.966 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.62 HD13 ' HB2' ' A' ' 7' ' ' ARG . 86.5 mt -60.53 -46.5 89.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 74.25 110.864 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.93 -32.71 69.71 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.949 0.781 . . . . 73.53 111.358 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.3 t -67.99 -46.42 71.37 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.065 0.546 . . . . 73.4 110.188 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.4 t -59.64 -45.81 93.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 O-C-N 124.051 0.844 . . . . 63.2 109.865 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.38 73.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.475 1.11 . . . . 45.41 111.764 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.26 -39.71 86.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.276 1.03 . . . . 63.23 109.724 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -72.28 -35.25 68.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.425 0.69 . . . . 73.11 111.447 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 74.7 mt -63.84 -42.95 97.49 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.565 -0.532 . . . . 64.13 109.565 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -67.08 -46.05 75.46 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.429 -0.805 . . . . 74.43 110.567 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.49 81.47 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.747 0.819 . . . . 74.41 111.772 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -82.52 -19.8 37.97 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.173 -0.921 . . . . 64.25 111.189 -176.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.73 4.99 67.02 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 123.068 0.366 . . . . 52.14 113.036 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -84.22 3.59 85.67 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 119.343 -0.698 . . . . 35.4 114.072 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -60.57 -49.24 78.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.666 0.786 . . . . 71.25 111.825 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.93 -34.29 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 115.041 -0.981 . . . . 73.03 109.822 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -63.97 -39.01 93.17 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.533 0.733 . . . . 75.14 111.955 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 66' ' ' GLY . 79.6 t -64.59 -45.91 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.585 0.754 . . . . 74.23 109.921 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -59.07 -52.17 66.89 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.07 0.856 . . . . 73.14 111.009 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.3 m -60.28 -40.61 91.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.513 1.125 . . . . 64.03 110.768 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.27 -54.45 24.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.53 -0.759 . . . . 61.1 109.979 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 77' ' ' THR . 42.9 mt -63.77 -33.3 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.82 0.848 . . . . 51.24 111.652 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.2 m -66.1 -44.15 85.2 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.327 0.651 . . . . 75.1 110.356 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -84.61 -28.39 26.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.048 0.539 . . . . 74.03 112.397 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.9 t -73.02 148.45 44.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.394 0.616 . . . . 72.34 111.189 -172.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.23 4.1 17.57 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.858 -1.065 . . . . 64.12 109.726 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -83.31 143.6 30.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.459 0.703 . . . . 63.31 110.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 14.2 mtp180 -116.07 143.79 31.6 Favored Pre-proline 0 C--O 1.242 0.674 0 C-N-CA 124.502 1.121 . . . . 73.44 109.614 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.09 118.04 5.37 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.284 1.989 . . . . 70.22 110.778 172.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -122.62 165.14 16.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.645 0.778 . . . . 75.5 109.111 -176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.8 tp -54.62 106.36 0.21 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.532 0.733 . . . . 72.34 111.052 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.78 -28.33 12.57 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.479 -0.782 . . . . 74.04 112.748 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -114.44 119.37 36.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.696 0.799 . . . . 63.43 111.041 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.99 159.08 15.19 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.797 0.839 . . . . 63.13 110.349 171.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.5 t -90.79 89.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 108.067 -1.086 . . . . 64.25 108.067 171.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -77.25 100.47 5.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.963 0.905 . . . . 74.25 109.771 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -85.96 111.43 38.02 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.261 1.024 . . . . 70.41 109.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.41 115.53 4.26 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.298 1.998 . . . . 74.23 111.336 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.41 ' HB2' HG23 ' A' ' 29' ' ' ILE . 70.0 mt -84.43 96.96 9.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.149 -0.686 . . . . 52.3 109.149 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.13 93.5 3.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.357 -0.838 . . . . 71.41 109.725 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 N--CA 1.478 0.937 0 CA-C-N 115.691 -0.686 . . . . 70.3 111.171 -172.752 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--O 1.246 0.91 0 CA-C-O 120.583 0.23 . . . . 73.03 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -25.24 70.57 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.983 -0.553 . . . . 73.41 112.711 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -61.18 -47.65 85.19 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.898 0.879 . . . . 70.23 110.644 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.19 -38.51 88.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.783 0.433 . . . . 73.15 111.257 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 20' ' ' VAL . 44.3 tp -64.07 -43.85 94.21 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.139 -0.937 . . . . 72.24 110.366 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -67.06 -41.85 85.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.894 0.878 . . . . 74.12 110.973 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.475 ' NE2' HD12 ' A' ' 11' ' ' LEU . 24.3 mm-40 -66.77 -22.98 66.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.788 0.835 . . . . 70.45 110.936 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.09 -36.76 55.49 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.946 0.898 . . . . 72.51 110.411 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 28.0 mt -71.76 -38.11 70.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.291 0.636 . . . . 72.41 109.873 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD12 ' NE2' ' A' ' 8' ' ' GLN . 96.2 mt -74.45 -37.2 63.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.866 0.866 . . . . 70.54 110.901 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.65 -56.01 21.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.437 1.095 . . . . 64.33 110.454 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -84.86 -58.95 2.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.43 -1.259 . . . . 72.53 111.823 -169.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.506 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.5 m0 -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.504 0.557 . . . . 73.32 112.504 -168.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.36 4.57 85.97 Favored Glycine 0 C--N 1.348 1.247 0 N-CA-C 114.507 0.563 . . . . 44.1 114.507 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.435 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.8 m-85 -132.25 145.15 51.11 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.964 0.505 . . . . 74.55 109.931 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.6 p -83.62 80.83 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.231 -0.895 . . . . 73.41 109.791 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.435 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 84.1 m-85 -77.57 147.98 35.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.19 0.596 . . . . 73.24 111.99 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.27 141.88 48.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.713 -0.847 . . . . 71.41 108.713 169.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.711 HG21 HD21 ' A' ' 6' ' ' LEU . 17.0 m -129.07 127.19 65.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.422 -0.955 . . . . 62.41 108.422 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -129.94 143.24 50.7 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.992 0.517 . . . . 73.21 110.142 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.593 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.8 m-85 -77.59 152.65 33.85 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.216 -0.902 . . . . 74.24 111.555 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -143.04 120.85 11.92 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.313 -0.858 . . . . 50.12 108.704 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -115.45 107.52 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.789 0.836 . . . . 73.25 108.832 -170.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -144.24 137.99 27.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.52 0.728 . . . . 54.22 109.878 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 59.76 29.36 18.92 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.615 1.166 . . . . 72.31 111.567 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.34 4.57 84.4 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 116.338 -0.392 . . . . 65.31 113.589 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -104.24 160.08 15.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.292 1.037 . . . . 73.44 110.131 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 22' ' ' PHE . 11.1 tp -122.43 136.66 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 109.549 -0.537 . . . . 72.2 109.549 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.62 124.14 27.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.273 1.029 . . . . 74.23 108.742 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -91.49 98.44 11.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.588 -0.893 . . . . 71.24 108.588 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -87.26 111.89 21.48 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 110.134 -0.321 . . . . 73.01 110.134 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.522 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 55.5 t -69.72 112.31 4.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 123.871 0.869 . . . . 53.11 109.49 173.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 36.7 mmt -71.68 156.74 39.02 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.776 0.798 . . . . 73.12 111.347 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -76.6 -14.96 59.95 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.937 1.695 . . . . 74.12 110.825 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -73.33 107.9 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.854 0.862 . . . . 73.0 109.025 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -108.68 153.89 22.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.674 0.39 . . . . 75.3 110.157 172.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.99 -25.36 65.19 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.418 1.074 . . . . 62.42 112.642 -171.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.46 -3.64 28.79 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.684 0.794 . . . . 51.01 112.447 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.46 138.7 32.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.426 0.69 . . . . 64.53 109.654 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.3 62.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.736 0.815 . . . . 73.42 110.928 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.2 p -69.19 -15.06 63.31 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.346 1.058 . . . . 72.32 112.676 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.39 125.79 85.02 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 124.158 0.983 . . . . 75.32 110.602 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -82.08 2.78 8.3 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.919 2.412 . . . . 62.33 114.721 -165.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.5 mtm -123.0 154.9 37.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.308 0.643 . . . . 75.41 110.4 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -77.39 170.33 16.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.63 0.772 . . . . 60.21 109.956 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.49 -61.46 2.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.965 0.906 . . . . 74.14 112.684 -170.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 14.3 m -65.97 -36.6 83.78 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.693 0.797 . . . . 74.34 110.839 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.24 -31.09 70.33 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.054 0.541 . . . . 71.11 111.31 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 15.9 t80 -66.6 -37.99 86.07 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.247 0.619 . . . . 74.32 110.321 170.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -67.12 -38.67 85.99 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.107 0.563 . . . . 73.53 110.537 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 48' ' ' THR . 17.0 mm-40 -70.48 -30.65 67.51 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.972 0.509 . . . . 74.22 110.746 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -64.05 -48.34 76.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.501 0.72 . . . . 72.22 110.254 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 73.0 mt -61.89 -38.06 86.9 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.625 0.578 . . . . 64.53 110.804 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.22 -29.36 62.75 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.911 -1.04 . . . . 73.02 110.617 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 t -70.28 -43.05 71.24 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.859 0.864 . . . . 73.52 110.182 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.7 t -61.24 -47.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 114.995 -1.002 . . . . 45.55 109.891 176.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.0 -24.13 62.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.737 0.815 . . . . 73.41 111.878 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.09 -44.27 84.87 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.518 0.727 . . . . 71.5 109.662 172.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.06 -40.15 94.31 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.341 -0.845 . . . . 75.11 110.842 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.4 mt -62.59 -39.31 93.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.886 0.474 . . . . 73.21 110.644 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.87 -49.45 70.47 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.394 0.677 . . . . 75.21 110.56 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.47 97.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.435 0.694 . . . . 61.42 112.286 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.78 -18.04 48.91 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.422 -0.808 . . . . 71.31 111.637 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.84 85.9 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 112.139 -0.385 . . . . 72.22 112.139 -168.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.45 -2.91 88.43 Favored Glycine 0 C--N 1.352 1.456 0 CA-C-O 119.464 -0.631 . . . . 71.03 113.068 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.82 -49.0 76.65 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.59 0.756 . . . . 74.55 110.984 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.67 -30.68 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 114.911 -1.04 . . . . 64.41 110.487 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -66.57 -45.57 78.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.018 0.527 . . . . 44.43 110.725 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 89' ' ' ILE . 88.9 t -66.69 -45.07 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.493 0.717 . . . . 75.31 110.939 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -62.04 -54.19 44.92 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.66 -0.7 . . . . 74.44 110.906 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -58.75 -43.24 90.23 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.92 0.888 . . . . 73.45 111.556 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.59 -59.67 4.32 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.495 0.497 . . . . 74.43 110.519 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.559 ' HA ' HG22 ' A' ' 77' ' ' THR . 52.7 mt -62.65 -37.14 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.476 0.71 . . . . 51.13 111.365 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -65.52 -38.16 88.85 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.327 0.651 . . . . 72.1 111.77 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -95.8 -10.41 29.12 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.47 0.545 . . . . 74.53 112.47 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 74' ' ' ILE . 5.9 t -97.45 157.67 15.88 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.591 0.632 . . . . 62.54 109.603 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -127.93 27.86 5.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.48 1.112 . . . . 72.43 108.229 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -99.03 125.14 44.44 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.62 0.768 . . . . 71.23 110.634 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 67.7 mtp180 -100.34 146.13 31.45 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.268 -0.878 . . . . 74.25 110.65 -177.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.53 141.12 41.31 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.551 2.167 . . . . 73.41 111.476 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 2.9 tmt_? -136.22 162.09 33.93 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.821 1.248 . . . . 75.43 108.089 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.54 104.01 0.1 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.496 0.718 . . . . 74.14 111.425 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.4 -34.28 5.68 Favored Glycine 0 N--CA 1.473 1.158 0 CA-C-N 115.685 -0.689 . . . . 54.1 112.284 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 23.4 tptm -87.96 113.4 23.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.716 1.206 . . . . 74.45 110.754 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.87 147.87 24.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.51 . . . . 64.42 110.364 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.522 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.2 t -89.44 91.68 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.098 -1.075 . . . . 61.32 108.098 171.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 t -78.43 105.47 9.71 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.483 0.713 . . . . 50.31 109.332 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -87.78 113.13 53.13 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.501 0.72 . . . . 71.31 109.23 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.56 113.69 3.59 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 121.992 1.795 . . . . 55.03 110.652 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HB2' HG23 ' A' ' 29' ' ' ILE . 57.8 mt -89.45 95.0 10.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.5 -0.926 . . . . 73.5 108.5 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.36 107.69 1.71 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.149 -0.685 . . . . 65.12 109.149 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 CA--C 1.538 0.515 0 CA-C-N 114.988 -1.006 . . . . 74.41 109.522 171.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 4' ' ' GLN . 4.2 t . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.554 -0.536 . . . . 73.04 109.554 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.29 -17.76 53.52 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-N 115.697 -0.683 . . . . 51.43 113.617 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 58.7 tt0 -62.49 -61.81 2.18 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.665 0.786 . . . . 72.42 109.78 171.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.43 -35.57 68.0 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.186 0.594 . . . . 75.33 111.701 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 20' ' ' VAL . 17.2 tp -69.28 -47.69 63.83 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.234 -0.894 . . . . 72.33 111.349 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.503 ' NH2' ' HG2' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -67.66 -39.33 84.54 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 118.112 0.414 . . . . 71.13 110.951 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -66.71 -27.55 67.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.966 0.506 . . . . 71.43 111.41 -176.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.33 -38.97 78.44 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.588 0.755 . . . . 74.01 109.879 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.1 mt -76.85 -33.82 57.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.922 0.889 . . . . 73.23 110.821 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.6 mt -77.97 -29.43 49.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.295 1.038 . . . . 64.4 111.097 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.76 -44.05 21.42 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.288 -0.415 . . . . 74.42 109.888 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 74' ' ' ILE . 24.8 tptp -76.67 -57.97 3.55 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.662 -0.699 . . . . 74.02 111.614 -172.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -107.9 -16.65 14.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.872 0.469 . . . . 72.13 111.782 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.27 6.5 68.68 Favored Glycine 0 N--CA 1.472 1.075 0 CA-C-O 119.911 -0.383 . . . . 61.22 113.988 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 92.0 m-85 -142.22 147.43 36.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.466 0.706 . . . . 73.13 110.248 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -86.93 86.42 7.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.518 0.727 . . . . 72.12 109.895 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.7 m-85 -79.22 146.38 33.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.369 0.668 . . . . 55.41 112.019 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.72 128.89 37.69 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.882 -0.414 . . . . 71.21 109.882 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 HD21 ' A' ' 6' ' ' LEU . 16.3 m -114.21 126.82 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 108.602 -0.888 . . . . 73.21 108.602 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -142.23 143.87 33.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.798 0.439 . . . . 53.2 110.209 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 29' ' ' ILE . 81.9 m-85 -74.72 158.83 32.88 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.699 0.8 . . . . 70.3 111.601 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 19.1 tpt180 -146.25 117.92 8.09 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.443 -0.798 . . . . 62.11 109.266 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.89 111.49 24.03 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.761 0.825 . . . . 73.44 109.621 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -145.93 137.36 24.87 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 109.377 -0.601 . . . . 61.43 109.377 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 64.93 15.53 9.99 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.986 1.314 . . . . 72.14 112.93 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.0 0.79 77.22 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-O 120.499 -0.056 . . . . 74.42 113.073 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.17 162.61 12.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.12 0.968 . . . . 74.2 110.741 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -123.85 134.78 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.642 0.777 . . . . 74.35 109.303 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 82.8 m-85 -132.05 135.97 46.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.78 1.232 . . . . 72.01 109.083 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -97.39 100.35 11.79 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.149 -0.685 . . . . 74.3 109.149 171.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -90.37 109.36 20.48 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.227 0.537 . . . . 63.11 110.959 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -74.44 106.64 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 114.597 -1.183 . . . . 73.11 109.311 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -63.13 163.87 9.44 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.299 1.039 . . . . 50.31 112.101 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.543 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 25.2 p90 -85.77 -8.16 58.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.618 1.167 . . . . 72.42 112.217 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -96.65 144.01 27.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.957 0.503 . . . . 72.32 110.095 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -135.05 159.39 41.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.103 -0.953 . . . . 73.31 110.835 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' HD2' ' A' ' 50' ' ' TYR . 48.8 tp -67.38 -22.92 65.54 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.222 1.009 . . . . 71.22 112.404 -171.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -70.95 -11.2 60.83 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.321 0.649 . . . . 53.33 110.892 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -84.62 131.35 34.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.833 0.853 . . . . 65.1 109.399 168.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -11.41 60.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.402 0.681 . . . . 74.32 111.105 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.6 t -84.13 -11.44 56.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.111 0.964 . . . . 74.31 111.702 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.28 124.2 76.76 Favored Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 123.794 0.837 . . . . 74.01 110.295 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.21 -37.74 59.75 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 123.519 2.813 . . . . 43.24 113.947 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.1 mtm -96.55 144.6 26.48 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.031 0.532 . . . . 64.12 110.001 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -83.36 -179.1 7.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.781 0.832 . . . . 74.23 109.356 174.387 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.0 mt-10 -59.81 -45.29 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.784 0.661 . . . . 72.15 112.784 -171.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.8 m -81.16 -33.09 33.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.851 0.46 . . . . 34.31 110.529 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -59.39 -48.48 81.48 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.515 0.674 . . . . 73.41 110.268 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.509 ' HD2' HD22 ' A' ' 38' ' ' LEU . 48.8 t80 -72.9 -33.9 66.31 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 114.401 -1.272 . . . . 73.22 111.643 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.503 ' HG2' ' NH2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -66.78 -46.98 73.58 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.253 0.549 . . . . 73.3 109.71 -177.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.98 -26.06 62.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.471 -0.786 . . . . 73.42 111.014 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -63.75 -44.25 94.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.533 0.733 . . . . 72.51 110.199 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 7' ' ' ARG . 87.4 mt -59.71 -49.07 79.17 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.3 0.64 . . . . 64.33 110.811 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.18 -32.48 73.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 124.012 0.82 . . . . 74.03 110.796 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.2 t -70.22 -46.92 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.557 0.743 . . . . 72.1 110.62 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 40.5 t -61.1 -44.13 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.777 0.831 . . . . 71.12 110.192 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -28.28 67.05 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.672 1.189 . . . . 64.31 111.858 -176.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.84 -46.87 76.92 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.483 -0.781 . . . . 74.43 109.584 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.82 -33.44 75.87 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.69 0.619 . . . . 63.52 111.743 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 78.7 mt -61.06 -41.83 97.35 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 122.446 0.299 . . . . 64.13 110.63 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -76.2 -40.21 52.83 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.458 0.303 . . . . 74.34 111.223 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.96 90.97 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.04 0.936 . . . . 71.12 110.953 -177.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.3 -24.31 29.92 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.311 -1.313 . . . . 62.11 110.703 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.6 8.99 61.85 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 113.795 0.278 . . . . 73.55 113.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -86.16 4.02 86.45 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-O 119.532 -0.593 . . . . 72.21 113.543 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.44 87.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.557 0.743 . . . . 53.13 111.872 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -35.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 115.491 -0.777 . . . . 74.1 110.06 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.25 -33.69 74.85 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.455 0.702 . . . . 74.42 111.353 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 66' ' ' GLY . 87.0 t -68.97 -46.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.671 0.788 . . . . 75.14 110.225 173.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -69.83 -22.18 63.3 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.241 -0.89 . . . . 74.42 111.81 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -78.19 -54.87 5.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.262 -0.644 . . . . 60.12 109.262 173.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -63.39 -59.72 4.32 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.148 -0.933 . . . . 71.32 111.211 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 52.9 mt -56.92 -45.92 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.602 0.761 . . . . 73.32 111.451 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -65.63 -27.66 68.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.299 0.64 . . . . 73.41 111.889 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -95.12 -33.93 12.47 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.816 0.673 . . . . 54.44 112.816 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -76.9 126.82 31.62 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.145 0.498 . . . . 72.44 111.162 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -87.35 6.43 33.66 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.272 0.629 . . . . 74.43 110.888 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.78 140.88 40.9 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.433 0.693 . . . . 72.25 110.021 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -115.36 142.96 29.51 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.395 -0.82 . . . . 73.45 109.328 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.543 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 45.4 Cg_endo -70.06 119.18 6.15 Favored 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.04 1.827 . . . . 71.15 110.412 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 77.1 ttt180 -125.21 162.1 25.43 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.963 1.305 . . . . 75.34 108.848 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.4 tp -48.52 111.96 0.53 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.274 0.63 . . . . 55.43 110.709 174.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.74 -34.65 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.032 -0.531 . . . . 50.15 112.627 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 61.8 tttp -90.94 103.19 15.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.808 0.843 . . . . 65.35 110.821 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.87 137.17 32.6 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.361 -0.607 . . . . 75.11 109.361 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.2 t -76.85 88.16 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 N-CA-C 108.116 -1.068 . . . . 73.44 108.116 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -83.34 108.33 16.46 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.263 -0.881 . . . . 71.31 109.309 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.7 mt -89.52 109.68 33.57 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.056 0.942 . . . . 73.03 109.341 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.01 112.31 2.68 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 121.724 1.616 . . . . 74.42 110.24 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.616 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.6 mt -84.82 95.62 9.04 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.729 -0.841 . . . . 74.24 108.729 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.61 90.44 1.36 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.537 -1.21 . . . . 54.34 110.587 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.1 mt . . . . . 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 74.3 110.35 179.737 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 110.498 -0.186 . . . . 61.12 110.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.45 -23.2 73.51 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.414 0.446 . . . . 75.05 112.812 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -61.04 -51.05 70.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.054 0.942 . . . . 70.54 109.594 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -67.89 -39.81 83.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.365 -0.834 . . . . 73.34 110.478 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.611 HD21 HG21 ' A' ' 20' ' ' VAL . 47.1 tp -61.88 -44.17 97.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.321 -0.854 . . . . 72.15 110.437 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.532 HH22 HD23 ' A' ' 38' ' ' LEU . 44.6 ttt180 -63.64 -46.05 87.4 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.088 0.555 . . . . 65.44 110.566 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.77 -24.47 67.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.575 0.75 . . . . 53.4 112.133 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.71 -40.34 63.66 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.526 0.731 . . . . 64.11 110.138 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.0 mt -71.3 -35.82 71.43 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.596 0.759 . . . . 63.33 110.19 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.92 -36.05 56.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.858 0.863 . . . . 75.22 111.427 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.22 -49.4 72.13 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.769 0.668 . . . . 54.44 111.184 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -85.77 -50.24 7.31 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.475 -0.784 . . . . 73.43 111.565 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 18.6 m0 -105.59 -23.08 12.85 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.8 0.667 . . . . 75.51 112.8 -169.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.48 81.06 Favored Glycine 0 N--CA 1.479 1.566 0 N-CA-C 114.085 0.394 . . . . 42.42 114.085 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -132.84 143.29 49.43 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.458 0.703 . . . . 60.23 109.614 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -87.31 81.47 7.89 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.506 -0.924 . . . . 75.41 108.506 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -75.56 145.2 41.42 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.599 0.76 . . . . 75.22 111.518 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.61 143.49 56.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.072 -0.714 . . . . 55.34 109.072 173.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.611 HG21 HD21 ' A' ' 6' ' ' LEU . 14.6 m -129.41 138.86 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.962 0.905 . . . . 74.31 108.867 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.05 145.88 26.64 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.494 0.717 . . . . 71.24 110.631 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 29' ' ' ILE . 93.8 m-85 -81.31 152.5 27.53 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.583 0.753 . . . . 63.25 110.565 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -145.78 129.1 16.8 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.054 0.942 . . . . 74.55 109.009 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -100.45 96.36 7.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.625 -0.88 . . . . 75.0 108.625 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -133.37 139.56 46.87 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.921 -0.77 . . . . 74.42 108.921 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 68.82 18.03 8.67 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.175 1.39 . . . . 73.0 111.462 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.37 6.3 86.35 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.5 -0.318 . . . . 64.33 113.08 -176.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -106.48 -176.42 3.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.889 1.276 . . . . 34.21 109.637 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 22' ' ' PHE . 9.8 tp -130.93 129.45 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 N-CA-C 109.282 -0.636 . . . . 72.31 109.282 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.07 130.56 45.03 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.245 1.018 . . . . 54.32 109.278 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.7 tp -92.8 100.14 12.68 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.825 -0.806 . . . . 70.3 108.825 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -85.19 112.76 21.01 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 109.758 -0.46 . . . . 55.12 109.758 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.411 HG22 HG12 ' A' ' 20' ' ' VAL . 29.7 t -79.31 105.23 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 114.958 -1.019 . . . . 71.33 109.017 174.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.43 152.07 44.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.614 1.165 . . . . 65.02 111.671 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 36.0 p90 -73.67 -18.99 60.96 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.28 1.032 . . . . 75.24 111.808 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.83 115.63 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.792 0.837 . . . . 74.43 109.308 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 3.9 p90 -110.53 164.99 12.17 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.006 0.922 . . . . 74.43 109.606 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 HH22 ' A' ' 7' ' ' ARG . 42.5 tp -68.42 -23.78 64.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 118.877 0.762 . . . . 73.31 111.703 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -70.7 -5.5 30.2 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.838 0.855 . . . . 73.21 110.936 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tp60 -59.87 132.03 52.69 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 124.71 1.204 . . . . 64.3 110.458 177.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.0 -21.96 66.72 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.137 0.575 . . . . 74.5 111.867 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -134.9 68.22 1.48 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.698 0.799 . . . . 75.23 109.763 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.09 121.99 81.18 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.182 -1.044 . . . . 74.31 108.182 169.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.15 -11.66 6.27 Favored 'Trans proline' 0 N--CA 1.513 2.638 0 C-N-CA 123.921 3.08 . . . . 74.33 115.545 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 mtp -123.7 156.3 36.22 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.005 0.922 . . . . 74.15 110.183 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.621 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 72.8 m-20 -76.56 171.73 14.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.111 0.564 . . . . 65.31 110.588 175.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.79 -41.08 97.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.949 0.9 . . . . 74.5 111.064 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -67.77 -46.38 72.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.623 0.769 . . . . 70.53 110.523 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.6 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.125 0.97 . . . . 71.12 110.222 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' HD2' HD22 ' A' ' 38' ' ' LEU . 68.4 t80 -70.25 -38.77 75.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.092 -1.413 . . . . 72.0 112.079 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.7 -44.77 80.82 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.647 -0.501 . . . . 61.41 109.647 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.83 -23.72 62.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.81 0.844 . . . . 73.41 111.275 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.57 -45.94 74.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.104 0.562 . . . . 74.45 109.882 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 7' ' ' ARG . 96.0 mt -60.68 -38.83 86.24 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.835 0.709 . . . . 71.04 110.146 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.99 -39.67 87.19 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.137 0.898 . . . . 62.13 110.881 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -66.22 -48.08 71.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.396 0.678 . . . . 52.45 110.474 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.08 -50.91 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.993 0.917 . . . . 71.43 110.331 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -70.12 -19.76 63.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.979 0.911 . . . . 74.14 112.015 -177.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.28 -33.97 61.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.974 0.51 . . . . 60.25 110.007 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -71.96 -39.93 69.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.752 0.421 . . . . 62.01 109.997 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 58' ' ' ALA . 85.8 mt -59.79 -33.35 71.61 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.284 0.564 . . . . 73.31 110.068 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -72.06 -45.72 59.67 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.042 0.937 . . . . 72.54 111.281 172.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -21.76 59.52 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.879 0.872 . . . . 72.15 112.579 -172.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -103.74 -24.06 13.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.368 0.667 . . . . 62.11 110.499 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.47 18.18 49.86 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.936 -0.575 . . . . 62.22 112.11 -173.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.69 2.67 80.53 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-O 119.355 -0.692 . . . . 64.3 113.957 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.84 65.42 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.564 0.682 . . . . 75.21 110.902 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.43 -34.45 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 123.72 0.637 . . . . 73.44 110.521 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 9.5 mm-40 -63.48 -39.37 94.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.21 0.604 . . . . 75.24 110.546 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.11 -48.04 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.949 0.9 . . . . 75.14 111.039 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.01 -47.86 79.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.055 0.942 . . . . 74.44 111.181 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.469 HG22 ' NE2' ' A' ' 76' ' ' GLN . 90.0 m -64.4 -48.68 74.49 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.379 1.072 . . . . 65.2 110.867 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -65.61 -46.32 79.79 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.872 0.469 . . . . 72.3 111.394 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 77' ' ' THR . 47.9 mt -65.94 -36.67 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.301 0.64 . . . . 71.31 111.301 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.1 m -62.6 -38.82 91.67 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.331 0.652 . . . . 73.22 110.954 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.469 ' NE2' HG22 ' A' ' 72' ' ' THR . 47.8 mt-30 -75.27 -49.16 20.15 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.378 0.671 . . . . 65.44 111.72 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.6 t -71.27 116.08 11.17 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.452 0.644 . . . . 73.13 110.978 -171.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.43 -6.25 57.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.659 0.784 . . . . 72.14 110.483 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 124.093 0.957 . . . . 65.52 110.463 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 98.4 mtt180 -122.95 148.12 53.19 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.262 1.025 . . . . 74.32 109.907 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.43 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 35.9 Cg_exo -60.35 119.07 6.05 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.184 1.923 . . . . 63.44 111.108 172.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 8.5 tpt180 -114.3 165.39 12.75 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.615 1.166 . . . . 74.14 107.864 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.33 114.76 3.09 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 118.775 0.716 . . . . 72.42 110.694 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.5 -7.58 81.63 Favored Glycine 0 C--N 1.349 1.287 0 CA-C-N 115.876 -0.602 . . . . 75.34 113.567 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 50.6 tptt -118.5 104.86 11.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 72.0 109.935 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.92 152.59 21.16 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.266 0.626 . . . . 74.43 109.603 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.46 95.03 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.384 -0.969 . . . . 62.12 108.384 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.4 t -78.43 114.96 17.8 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.681 0.792 . . . . 73.11 110.016 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.6 mt -96.71 110.27 52.44 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 123.641 0.777 . . . . 72.4 109.413 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.24 113.7 3.77 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.273 1.982 . . . . 52.24 110.937 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.597 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.6 mt -93.1 111.53 23.19 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 108.226 -1.027 . . . . 64.34 108.226 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.424 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 26.1 t70 -77.41 97.02 4.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.228 -0.656 . . . . 64.23 109.228 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.2 mt . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 107.833 -1.173 . . . . 63.12 107.833 163.034 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 108.895 -0.779 . . . . 72.1 108.895 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.92 68.18 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.302 0.376 . . . . 73.55 112.292 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.69 -58.24 8.19 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.521 1.128 . . . . 73.22 110.168 172.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -60.55 -36.64 78.94 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.572 0.545 . . . . 63.4 111.951 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.524 HD21 HG21 ' A' ' 20' ' ' VAL . 36.3 tp -68.27 -46.03 71.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.42 -0.809 . . . . 75.41 110.557 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.478 ' HB2' HD13 ' A' ' 54' ' ' LEU . 75.0 ttt180 -64.12 -42.04 97.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.166 0.586 . . . . 75.44 110.891 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -67.93 -26.58 66.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.01 0.924 . . . . 64.04 111.263 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.12 -37.94 78.63 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.616 0.766 . . . . 70.21 110.105 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 36.2 mt -74.92 -36.16 62.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.727 0.811 . . . . 74.02 110.408 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.71 -35.11 65.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.807 0.843 . . . . 74.04 111.541 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.46 -34.65 74.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.943 -0.571 . . . . 73.0 110.39 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -85.08 -66.82 0.85 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.049 -0.523 . . . . 64.5 111.469 -173.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.402 ' HB2' ' HE2' ' A' ' 18' ' ' TYR . 5.3 m-90 -105.33 -16.89 14.63 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.257 0.623 . . . . 71.31 111.436 -170.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.96 69.5 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 116.247 -0.433 . . . . 71.13 113.876 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 97.0 m-85 -137.35 149.78 47.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.298 0.639 . . . . 75.03 109.559 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 m -88.76 90.97 8.63 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.343 -0.984 . . . . 63.23 108.343 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.8 m-85 -82.6 148.05 28.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.941 0.496 . . . . 73.44 111.285 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.87 110.49 9.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.519 -0.764 . . . . 71.11 109.35 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 HD21 ' A' ' 6' ' ' LEU . 30.1 m -102.68 129.8 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.495 -0.928 . . . . 54.22 108.495 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -143.33 143.57 31.73 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.203 0.601 . . . . 60.5 110.594 -174.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 29' ' ' ILE . 67.8 m-85 -74.3 146.81 42.86 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.525 0.73 . . . . 65.3 111.287 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -144.42 126.46 15.49 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.652 -0.87 . . . . 74.01 108.652 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -108.34 110.96 22.66 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.541 0.736 . . . . 63.14 109.188 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 t -137.26 137.65 39.25 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 123.091 0.557 . . . . 74.24 110.012 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 72.31 -13.0 0.66 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.651 1.581 . . . . 63.35 113.199 174.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.35 -12.43 7.52 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 123.094 0.378 . . . . 41.33 112.236 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -102.93 167.83 9.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.726 0.81 . . . . 64.13 111.984 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.4 tp -116.97 132.26 67.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.183 0.993 . . . . 74.23 109.789 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -131.02 126.98 37.36 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.328 1.051 . . . . 64.13 108.992 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.4 tp -91.49 100.47 13.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.026 -0.731 . . . . 73.45 109.026 173.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -87.83 113.08 23.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.224 0.535 . . . . 74.14 110.858 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.5 t -72.76 103.91 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.568 -1.196 . . . . 71.52 108.64 169.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.81 150.69 47.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.294 0.638 . . . . 71.01 110.309 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -70.18 -17.41 63.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.591 1.156 . . . . 72.42 110.923 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.49 102.36 3.2 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.661 0.784 . . . . 75.13 109.701 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -97.11 164.02 12.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.233 0.613 . . . . 73.32 110.439 173.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.7 tp -62.41 -23.4 66.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.405 0.682 . . . . 75.24 112.538 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.38 -10.38 59.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.767 0.427 . . . . 75.24 112.111 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 43' ' ' PHE . 84.3 mm-40 -64.33 127.37 31.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.033 0.533 . . . . 74.04 109.792 173.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.38 71.76 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.246 0.618 . . . . 70.1 110.441 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 t -98.31 28.36 4.14 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.788 0.835 . . . . 74.34 110.799 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.493 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t80 -73.7 129.83 84.59 Favored Pre-proline 0 CA--C 1.554 1.12 0 N-CA-C 109.042 -0.725 . . . . 73.15 109.042 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.21 -13.67 40.4 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 123.308 2.672 . . . . 61.43 114.343 -171.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 70.9 mtm -123.85 157.86 33.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.597 0.759 . . . . 75.53 110.431 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -100.2 176.11 5.5 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.741 -0.837 . . . . 71.31 108.741 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.41 -43.91 75.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.251 1.02 . . . . 62.54 113.075 -170.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.5 m -63.64 -61.79 2.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.624 0.77 . . . . 62.54 111.338 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -66.67 -27.7 67.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.129 0.572 . . . . 74.24 111.747 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.61 -43.11 73.4 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.075 0.55 . . . . 73.53 110.817 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -66.77 -41.86 87.03 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.961 -0.755 . . . . 64.42 108.961 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.05 -25.66 62.74 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.072 -0.967 . . . . 71.11 111.264 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -66.51 -43.71 84.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.522 0.729 . . . . 64.21 109.976 171.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 7' ' ' ARG . 88.3 mt -63.38 -39.44 94.52 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.005 0.522 . . . . 75.42 110.185 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.05 -33.12 73.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.1 -0.955 . . . . 65.23 110.874 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -67.39 -41.69 84.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.693 0.797 . . . . 63.12 110.617 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.409 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 53.2 t -66.3 -50.89 64.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.661 -0.699 . . . . 63.24 110.348 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -26.29 68.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.362 1.065 . . . . 44.53 112.036 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.32 -48.25 78.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.011 0.924 . . . . 73.44 110.361 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -71.03 -33.7 70.59 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.008 0.523 . . . . 75.45 111.612 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.96 -39.37 91.89 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.162 0.506 . . . . 72.1 110.111 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -68.65 -39.86 80.5 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.983 -1.008 . . . . 73.54 110.848 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.38 59.12 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.701 0.8 . . . . 44.42 112.895 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.1 mt -108.36 -14.79 14.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.134 0.574 . . . . 65.25 111.931 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.92 11.44 73.51 Favored Glycine 0 C--N 1.348 1.248 0 N-CA-C 112.33 -0.308 . . . . 63.3 112.33 -172.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.15 -4.41 90.24 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-O 119.496 -0.613 . . . . 55.14 113.305 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.63 83.45 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.256 0.528 . . . . 54.31 110.962 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.52 -35.02 64.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 O-C-N 124.203 0.939 . . . . 32.21 110.022 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -64.5 -45.22 88.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.398 0.679 . . . . 71.12 111.491 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.26 -42.54 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 123.85 0.718 . . . . 75.24 110.918 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -59.78 -59.1 5.97 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.943 0.777 . . . . 62.35 110.732 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.8 m -60.67 -40.25 91.42 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.305 1.003 . . . . 71.15 111.332 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.74 -59.17 4.91 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.746 0.654 . . . . 64.44 110.329 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt -61.12 -36.91 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.769 0.828 . . . . 72.5 111.748 -176.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.0 m -72.78 -26.54 61.57 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.149 0.58 . . . . 74.04 111.865 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -95.91 -44.47 7.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.203 -0.311 . . . . 65.13 111.745 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.0 t -66.93 163.27 20.04 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.237 0.541 . . . . 61.31 111.216 -175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -126.48 16.83 7.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.874 0.87 . . . . 72.33 110.203 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.54 137.87 38.86 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.788 0.835 . . . . 74.03 110.859 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.65 133.53 22.2 Favored Pre-proline 0 N--CA 1.469 0.5 0 C-N-CA 124.232 1.013 . . . . 71.11 109.353 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.79 119.69 6.7 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.079 1.853 . . . . 42.4 110.277 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.49 170.12 9.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.177 0.991 . . . . 74.13 109.184 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.35 94.73 0.12 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.992 0.517 . . . . 73.22 110.839 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.47 -29.14 8.89 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 111.743 -0.543 . . . . 71.44 111.743 -175.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -92.4 110.55 21.96 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 64.51 110.448 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.8 136.16 43.13 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.059 0.544 . . . . 75.42 109.711 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 89.7 t -78.23 89.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.567 -0.901 . . . . 64.52 108.567 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -78.78 100.59 7.19 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.283 -0.871 . . . . 75.3 108.893 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.1 108.42 11.48 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 124.122 0.969 . . . . 71.32 109.212 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.03 115.43 4.27 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.162 1.908 . . . . 45.42 110.525 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.503 ' HB2' HG23 ' A' ' 29' ' ' ILE . 63.4 mt -78.61 92.29 4.7 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.601 -0.889 . . . . 64.34 108.601 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.43 99.8 0.44 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.128 -0.942 . . . . 74.22 109.402 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.5 mt . . . . . 0 CA--C 1.533 0.315 0 CA-C-N 115.314 -0.857 . . . . 72.14 109.099 -179.844 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 110.109 -0.33 . . . . 75.54 110.109 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.68 71.19 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 112.339 -0.304 . . . . 73.51 112.339 171.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.83 -57.38 12.89 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.998 0.919 . . . . 72.2 110.377 170.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.59 -36.73 79.24 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.745 0.818 . . . . 53.03 111.688 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 20' ' ' VAL . 53.3 tp -60.36 -45.88 91.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.85 0.86 . . . . 75.22 110.18 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.531 ' HB2' HD13 ' A' ' 54' ' ' LEU . 57.4 ttt180 -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.419 0.449 . . . . 73.44 110.362 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -65.03 -22.06 66.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.612 0.765 . . . . 74.42 112.006 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -74.47 -40.98 61.53 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.509 0.724 . . . . 62.41 109.585 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.8 mt -70.95 -32.39 69.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.824 0.849 . . . . 75.22 110.448 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.54 -34.99 30.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.142 0.977 . . . . 72.24 111.608 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.92 -40.37 75.59 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.892 0.477 . . . . 72.4 110.187 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.99 -63.73 1.35 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.16 -0.927 . . . . 74.43 111.649 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -104.76 -30.28 10.01 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.161 -0.472 . . . . 63.32 111.456 -171.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.13 21.12 46.93 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.35 -0.387 . . . . 74.31 113.308 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -133.0 138.59 46.88 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.801 0.84 . . . . 75.22 109.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.8 78.65 9.5 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.122 0.569 . . . . 65.43 109.795 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -75.13 149.77 38.96 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.229 0.612 . . . . 74.51 111.246 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 9.4 p-10 -84.63 131.18 34.63 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.096 -0.705 . . . . 70.44 109.096 169.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 6' ' ' LEU . 19.9 m -105.44 131.24 55.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 108.809 -0.812 . . . . 53.22 108.809 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -131.16 141.41 50.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.109 0.563 . . . . 73.14 110.193 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.2 m-85 -73.12 153.69 40.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.296 0.638 . . . . 72.31 111.161 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -143.08 104.1 4.25 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.667 -1.234 . . . . 63.22 107.667 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -103.31 94.48 5.53 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.994 -1.484 . . . . 71.4 106.994 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -128.11 139.23 52.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.794 -1.094 . . . . 74.55 108.652 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 65.33 9.28 5.56 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.055 1.342 . . . . 72.02 111.809 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.82 67.04 Favored Glycine 0 C--N 1.353 1.523 0 C-N-CA 123.49 0.567 . . . . 71.02 112.82 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -100.21 139.43 35.89 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.306 0.642 . . . . 75.2 110.117 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -100.52 129.92 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.347 0.594 . . . . 63.01 109.596 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -128.51 130.63 47.74 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.651 1.18 . . . . 53.45 108.547 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 61' ' ' LEU . 42.1 tp -91.53 99.59 12.5 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.011 -0.737 . . . . 75.31 109.011 171.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.81 106.57 18.46 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 122.964 0.505 . . . . 73.43 110.672 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 39.4 t -71.26 111.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.01 0.924 . . . . 75.42 108.889 173.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.2 mmt -67.59 161.24 26.1 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.238 0.542 . . . . 72.35 111.555 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.498 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.1 p90 -83.3 -10.24 58.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.658 -1.155 . . . . 74.04 110.875 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -89.17 142.04 27.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.206 0.602 . . . . 72.43 109.739 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -135.46 156.69 48.5 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.126 0.97 . . . . 64.02 109.537 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.55 -31.15 63.89 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.968 0.907 . . . . 74.21 112.761 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.71 -14.11 57.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.558 0.947 . . . . 64.15 113.558 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -75.28 140.25 43.03 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 110.062 -0.347 . . . . 55.35 110.062 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.11 -17.99 56.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.113 0.565 . . . . 71.33 110.446 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 t -77.32 -15.58 59.34 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.133 0.973 . . . . 63.33 111.224 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 5.5 t80 -67.27 124.79 89.88 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 124.123 0.969 . . . . 74.1 108.962 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -88.88 7.92 4.12 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.67 2.247 . . . . 71.21 113.377 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.1 mtp -113.82 132.15 55.98 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.1 0.96 . . . . 63.51 109.213 -173.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -74.2 176.39 6.66 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.741 0.816 . . . . 54.32 111.075 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -58.62 -67.37 0.37 Allowed 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 124.218 1.007 . . . . 74.02 112.635 -176.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 m -65.57 -34.74 78.96 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.0 0.92 . . . . 71.11 110.688 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.61 -33.5 75.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.607 0.763 . . . . 73.5 111.56 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.72 -41.14 96.19 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.887 0.475 . . . . 72.23 110.309 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -66.95 -36.05 81.35 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 109.591 -0.522 . . . . 71.52 109.591 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.11 -37.42 85.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.314 0.646 . . . . 72.53 111.437 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.33 -46.95 86.4 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.956 -0.565 . . . . 63.34 110.329 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 7' ' ' ARG . 93.6 mt -62.73 -45.41 92.84 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.798 0.686 . . . . 65.44 111.25 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.62 -38.78 92.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.924 -1.035 . . . . 74.52 110.698 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.1 t -65.12 -47.45 77.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.84 0.713 . . . . 73.42 110.678 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG11 HG23 ' A' ' 20' ' ' VAL . 67.1 t -63.33 -51.85 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.466 -0.788 . . . . 72.23 111.001 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.531 ' HB2' HD22 ' A' ' 6' ' ' LEU . . . -65.63 -26.46 67.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.437 0.695 . . . . 64.13 112.337 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -65.94 -42.52 89.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.238 0.615 . . . . 73.35 109.649 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.12 -44.39 88.88 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.617 0.573 . . . . 73.25 111.26 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.6 mt -59.02 -39.17 81.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.376 0.671 . . . . 73.44 110.779 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.85 -31.73 57.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.659 0.783 . . . . 74.2 111.068 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.67 73.97 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.602 0.761 . . . . 21.31 111.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.2 mt -95.37 -23.31 17.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.953 0.901 . . . . 64.12 110.945 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.49 6.57 64.15 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 116.584 -0.28 . . . . 72.05 113.065 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -85.47 0.91 88.51 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 119.471 -0.627 . . . . 62.21 113.72 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.94 90.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 117.507 0.653 . . . . 52.11 111.637 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.04 -38.93 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.035 -0.984 . . . . 72.14 109.83 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -59.52 -40.47 87.23 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.572 0.749 . . . . 63.31 111.267 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' HG21 ' A' ' 89' ' ' ILE . 85.3 t -65.56 -50.65 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.737 0.815 . . . . 72.42 110.722 177.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -63.54 -33.29 75.27 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.481 0.712 . . . . 72.22 111.967 -177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -77.5 -44.53 28.47 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.595 0.758 . . . . 70.25 110.839 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.429 ' CD2' HG12 ' A' ' 89' ' ' ILE . 59.9 t80 -65.45 -50.24 66.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.348 0.659 . . . . 73.53 110.861 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.01 -35.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.606 0.763 . . . . 70.35 111.294 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.2 m -68.7 -48.31 64.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.636 0.374 . . . . 74.33 111.09 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.21 -36.74 80.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.531 0.567 . . . . 73.14 112.531 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.4 t -75.38 158.48 32.68 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.937 0.399 . . . . 73.03 110.525 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -121.44 5.51 10.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.101 0.96 . . . . 60.42 109.124 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.5 147.74 47.46 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.875 0.87 . . . . 73.33 110.125 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 51.8 mtt180 -118.12 143.18 32.36 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-N 114.78 -1.1 . . . . 63.0 109.049 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.498 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 23.8 Cg_exo -62.74 116.73 3.72 Favored 'Trans proline' 0 C--N 1.372 1.802 0 C-N-CA 122.162 1.908 . . . . 55.05 110.501 173.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.594 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 20.1 tpt180 -118.36 160.93 20.8 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.137 0.975 . . . . 74.42 108.856 -171.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.8 tp -57.07 94.88 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.678 0.791 . . . . 64.5 111.627 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.76 -33.12 6.38 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.403 -0.817 . . . . 65.34 111.869 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.594 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 54.9 tttm -89.74 106.41 18.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.7 0.8 . . . . 71.02 110.739 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 152.05 25.03 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.639 -0.504 . . . . 54.53 109.639 169.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.9 t -85.87 89.39 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 107.609 -1.256 . . . . 71.33 107.609 171.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -80.73 106.32 12.65 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.507 -0.769 . . . . 71.34 109.462 -174.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' VAL . 66.9 mt -92.32 109.3 37.1 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 124.563 1.145 . . . . 75.32 109.529 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.83 113.94 3.17 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 121.856 1.704 . . . . 74.02 110.214 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.513 ' HB2' HG23 ' A' ' 29' ' ' ILE . 79.0 mt -82.6 93.37 7.31 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.786 -0.82 . . . . 73.52 108.786 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -73.05 102.19 3.46 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.257 -1.016 . . . . 73.23 108.257 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 123.573 0.749 . . . . 73.14 109.989 177.821 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.243 0.731 0 N-CA-C 109.936 -0.394 . . . . 74.44 109.936 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.4 -26.41 71.75 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.421 0.451 . . . . 64.23 112.077 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.17 -53.44 30.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.406 1.083 . . . . 72.34 109.802 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -59.5 -43.53 93.33 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.921 0.889 . . . . 74.41 111.743 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 20' ' ' VAL . 32.0 tp -67.36 -42.37 83.58 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.998 0.811 . . . . 63.4 110.343 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HB2' HD13 ' A' ' 54' ' ' LEU . 42.8 ttt180 -58.6 -48.29 81.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.915 0.886 . . . . 75.41 110.342 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' NE2' HD12 ' A' ' 11' ' ' LEU . 24.7 mm-40 -67.54 -25.18 65.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.301 1.04 . . . . 73.12 111.812 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 tp -71.65 -42.45 67.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.885 0.474 . . . . 73.41 109.742 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 47.4 mt -69.37 -32.26 71.18 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.353 0.661 . . . . 70.41 110.939 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD12 ' NE2' ' A' ' 8' ' ' GLN . 95.8 mt -80.4 -41.28 24.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.919 0.888 . . . . 73.53 111.431 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.6 -35.71 75.54 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.398 0.679 . . . . 75.45 110.86 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -83.08 -65.77 0.97 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.859 -0.61 . . . . 55.14 111.761 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.505 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.7 m-90 -104.81 -19.25 13.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.421 0.526 . . . . 75.02 112.421 -170.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 14.02 64.06 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 114.635 0.614 . . . . 72.33 114.635 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -141.58 151.31 43.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.245 0.618 . . . . 62.42 110.009 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 p -89.03 79.22 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.179 0.992 . . . . 71.44 110.649 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -77.15 151.74 35.17 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.368 0.507 . . . . 70.33 112.368 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.26 145.66 47.76 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.439 -0.949 . . . . 72.43 108.439 168.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.607 HG21 HD21 ' A' ' 6' ' ' LEU . 7.3 m -133.1 126.29 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.481 0.712 . . . . 72.52 109.143 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.13 140.33 51.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.247 0.619 . . . . 61.51 110.412 -175.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' HB3' HD11 ' A' ' 29' ' ' ILE . 68.4 m-85 -74.95 149.2 39.45 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.763 0.825 . . . . 74.42 110.538 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -142.02 113.36 7.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.273 0.629 . . . . 55.2 109.556 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -101.94 105.3 16.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.85 0.86 . . . . 61.31 110.012 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 t -143.82 136.06 26.76 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.446 0.698 . . . . 74.22 109.77 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 63.01 26.18 15.37 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.201 1.4 . . . . 75.12 111.683 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.31 88.97 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 115.657 -0.701 . . . . 74.22 113.289 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -99.99 169.33 9.27 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.259 1.024 . . . . 71.14 109.554 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.64 HG23 ' HB2' ' A' ' 91' ' ' LEU . 6.3 tp -130.87 131.3 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 115.35 -0.841 . . . . 55.14 109.245 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -127.95 127.19 42.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.591 1.156 . . . . 70.51 108.892 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.72 97.94 11.32 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.379 -0.971 . . . . 65.25 108.379 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -86.2 107.49 17.92 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.6 0.76 . . . . 71.11 110.168 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.427 HG22 HG12 ' A' ' 20' ' ' VAL . 28.8 t -77.47 112.79 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.16 -0.927 . . . . 72.44 109.073 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -67.58 155.37 39.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.423 1.089 . . . . 63.44 111.748 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.401 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 21.7 p90 -76.0 -17.1 59.83 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.034 1.333 . . . . 73.41 111.253 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.7 135.52 34.54 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.397 0.679 . . . . 75.23 110.111 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.87 156.6 45.8 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.4 1.08 . . . . 75.1 109.649 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.71 -21.36 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.012 0.925 . . . . 42.14 112.191 -171.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.99 -14.28 62.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.163 0.585 . . . . 72.12 112.107 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -81.3 131.75 35.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.82 0.848 . . . . 64.34 108.955 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.91 66.67 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.265 0.626 . . . . 34.21 111.271 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -93.39 19.67 8.04 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.059 0.943 . . . . 75.5 111.677 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -73.89 129.94 84.05 Favored Pre-proline 0 CA--C 1.558 1.271 0 N-CA-C 108.815 -0.809 . . . . 73.14 108.815 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.1 -34.74 68.41 Favored 'Trans proline' 0 C--N 1.385 2.46 0 C-N-CA 123.055 2.503 . . . . 73.22 113.733 -170.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.6 mtm -101.0 143.43 31.15 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.563 0.745 . . . . 74.51 109.689 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -77.39 174.42 10.84 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.944 -0.391 . . . . 74.44 109.944 172.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.39 -40.82 79.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.357 0.663 . . . . 74.23 112.457 -173.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.9 m -64.92 -51.59 61.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.345 0.658 . . . . 65.21 110.208 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.95 -39.57 92.57 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.167 0.987 . . . . 55.13 111.778 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.38 -40.37 81.4 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.144 0.902 . . . . 73.41 110.912 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -67.66 -41.54 83.62 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.092 -0.707 . . . . 73.02 109.092 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.94 -34.71 78.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.941 0.896 . . . . 62.41 110.732 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.54 -42.75 82.2 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.715 0.806 . . . . 64.21 110.006 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 7' ' ' ARG . 82.9 mt -59.86 -44.13 94.3 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.919 0.762 . . . . 73.32 110.302 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.74 -31.57 66.82 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.285 0.991 . . . . 70.12 110.752 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -70.58 -43.33 69.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.624 0.77 . . . . 73.21 110.738 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 20' ' ' VAL . 42.2 t -63.12 -50.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 C-N-CA 123.747 0.819 . . . . 54.32 109.886 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.64 -20.86 63.59 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.359 1.064 . . . . 75.02 111.948 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -67.1 -44.29 80.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.682 0.793 . . . . 73.24 109.708 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -70.73 -36.21 73.08 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.693 -0.685 . . . . 75.5 111.141 176.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -38.31 87.54 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.764 -0.458 . . . . 70.55 109.764 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.6 -54.13 32.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.486 0.714 . . . . 72.24 110.499 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.5 99.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.075 0.95 . . . . 61.55 112.13 -170.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 93' ' ' LEU . 79.3 mt -85.27 -22.96 28.38 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.551 0.74 . . . . 70.25 111.773 -175.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.48 13.67 61.12 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.879 -0.488 . . . . 44.33 111.879 -171.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.13 -9.62 86.88 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-O 119.361 -0.688 . . . . 73.23 113.527 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.7 95.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.732 0.813 . . . . 73.42 110.652 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.04 -36.94 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 O-C-N 124.337 1.023 . . . . 55.23 110.269 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.37 0.668 . . . . 73.55 111.338 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 66' ' ' GLY . 90.2 t -66.03 -48.86 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.561 0.744 . . . . 75.12 110.217 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -58.29 -52.64 64.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.003 0.921 . . . . 60.31 111.584 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.1 m -61.42 -44.1 97.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.904 0.882 . . . . 35.01 111.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -66.5 -49.5 66.35 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.576 0.548 . . . . 74.31 110.415 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.84 -30.33 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.082 0.953 . . . . 74.14 111.143 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.2 m -67.42 -45.35 76.38 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 109.861 -0.422 . . . . 62.33 109.861 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.57 -63.72 1.02 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.042 0.537 . . . . 73.52 111.581 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 t -68.23 135.31 51.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.109 0.564 . . . . 64.22 110.197 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -114.47 19.84 15.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.994 0.918 . . . . 72.4 109.563 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.22 134.15 42.7 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.88 -1.055 . . . . 73.22 109.99 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.505 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 74.9 mtt-85 -101.35 141.19 22.11 Favored Pre-proline 0 C--O 1.241 0.634 0 CA-C-N 115.232 -0.894 . . . . 73.31 109.964 -177.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 47.1 Cg_exo -55.55 117.95 4.64 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.825 2.35 . . . . 72.45 111.368 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -112.01 152.69 27.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 74.04 109.793 -168.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.69 116.0 3.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.914 0.486 . . . . 75.33 110.136 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 -33.0 5.43 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.93 -0.577 . . . . 61.01 112.698 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.63 113.89 26.25 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.64 0.776 . . . . 75.23 111.348 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.23 152.7 22.09 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 65.15 110.922 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.1 t -81.42 91.57 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.49 -0.929 . . . . 71.44 108.49 172.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -78.09 103.11 7.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.219 -0.9 . . . . 74.22 109.19 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.405 HG21 ' HA ' ' A' ' 70' ' ' VAL . 71.7 mt -88.19 107.78 18.22 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.051 0.94 . . . . 75.02 109.984 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.06 113.37 3.4 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.093 1.862 . . . . 63.33 110.476 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.64 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.0 mt -87.15 99.93 12.29 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.227 -1.027 . . . . 64.35 108.227 177.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.85 86.92 2.83 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.561 -0.745 . . . . 74.22 109.35 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 64' ' ' LEU . 62.3 mt . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 123.773 0.829 . . . . 73.35 109.002 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p . . . . . 0 CA--C 1.545 0.775 0 N-CA-C 109.425 -0.583 . . . . 71.2 109.425 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.75 -21.08 62.65 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 120.034 -0.315 . . . . 71.32 112.449 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.1 -55.91 10.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.354 1.061 . . . . 75.2 110.088 172.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.72 -40.66 97.9 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.483 1.115 . . . . 70.24 111.351 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.526 HD21 HG21 ' A' ' 20' ' ' VAL . 32.0 tp -67.89 -43.38 79.43 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.08 0.863 . . . . 60.1 110.816 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -58.75 -52.49 65.46 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.301 0.64 . . . . 72.54 110.332 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.65 -19.68 63.61 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 114.594 -1.184 . . . . 71.5 112.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 71' ' ' LYS . 24.2 tp -73.33 -24.0 60.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.356 0.525 . . . . 61.5 110.458 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.8 mt -90.45 -35.43 15.14 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.857 0.863 . . . . 74.23 109.988 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.87 -61.03 2.02 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.758 0.823 . . . . 60.3 111.307 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -45.46 -43.68 11.68 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.237 1.015 . . . . 71.52 112.376 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -75.97 -63.12 1.38 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.95 0.9 . . . . 64.3 112.229 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.606 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 6.6 m0 -107.44 -23.09 12.32 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 112.661 0.615 . . . . 75.05 112.661 -167.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.89 -3.68 57.35 Favored Glycine 0 N--CA 1.473 1.149 0 N-CA-C 114.105 0.402 . . . . 43.33 114.105 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -127.17 149.07 50.14 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.019 0.527 . . . . 65.42 110.537 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -85.97 67.33 9.97 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.392 1.077 . . . . 63.42 110.35 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.54 152.31 45.5 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.264 -0.426 . . . . 74.13 111.177 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.84 136.38 33.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.692 -0.855 . . . . 74.21 108.692 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 HD21 ' A' ' 6' ' ' LEU . 30.4 m -105.52 139.62 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.699 -0.852 . . . . 64.42 108.699 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -132.7 136.44 46.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.673 0.389 . . . . 73.42 110.836 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.3 119.07 13.01 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.825 0.85 . . . . 75.3 110.192 174.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -103.41 104.24 14.31 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.123 0.969 . . . . 64.12 108.567 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -101.37 103.82 14.78 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.872 -1.158 . . . . 61.31 107.872 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -145.87 132.94 20.33 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.08 0.552 . . . . 53.05 110.889 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 60.07 33.71 21.27 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.042 1.337 . . . . 73.11 112.28 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.87 7.54 86.35 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.76 -0.655 . . . . 54.3 113.367 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -113.68 158.37 20.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.234 1.014 . . . . 62.32 109.866 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 tp -126.75 130.01 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.478 0.711 . . . . 55.1 110.215 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.69 125.26 29.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 74.1 107.908 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -89.07 97.81 11.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.053 -1.091 . . . . 71.15 108.053 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -86.52 106.71 17.71 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.214 -0.448 . . . . 71.4 109.875 -176.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 HG12 ' A' ' 20' ' ' VAL . 37.0 t -66.81 104.92 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.801 0 N-CA-C 107.895 -1.15 . . . . 52.5 107.895 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mmm -69.5 161.3 29.78 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.481 0.658 . . . . 73.24 111.462 -174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -78.69 4.7 12.95 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.504 -1.226 . . . . 74.21 113.022 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -110.96 150.49 29.16 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.211 1.004 . . . . 71.35 109.32 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' HB2' ' A' ' 39' ' ' GLU . 6.7 p90 -137.29 162.25 34.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.244 0.617 . . . . 72.05 110.394 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 50' ' ' TYR . 42.5 tp -67.83 -21.62 65.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.618 0.767 . . . . 63.12 111.459 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 5.6 mm-40 -64.68 -18.6 65.13 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.236 0.615 . . . . 55.02 111.164 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -70.06 126.41 29.6 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.159 0.584 . . . . 65.25 109.926 171.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.36 -23.93 61.99 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.942 0.497 . . . . 65.31 110.467 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -79.0 2.66 19.67 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.131 0.972 . . . . 62.53 111.983 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.76 119.5 74.58 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.518 0.727 . . . . 62.31 109.259 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.93 0.71 9.77 Favored 'Trans proline' 0 C--N 1.384 2.408 0 C-N-CA 122.923 2.415 . . . . 73.14 113.502 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtp -106.74 135.66 47.9 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.21 1.004 . . . . 70.22 108.894 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.8 m-20 -70.1 171.67 9.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.984 0.513 . . . . 45.42 110.163 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.1 -40.02 96.41 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.112 0.565 . . . . 71.43 110.843 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -63.76 -44.81 92.34 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 123.708 0.63 . . . . 72.42 109.779 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.9 mm-40 -60.98 -39.07 88.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.361 0.665 . . . . 64.41 111.007 -178.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 53.3 t80 -63.22 -49.86 72.53 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.254 0.971 . . . . 74.21 110.789 177.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.81 -39.34 83.99 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.602 0.564 . . . . 71.43 111.279 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -73.57 -24.3 60.07 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.143 0.577 . . . . 75.4 111.042 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 57' ' ' VAL . 61.1 t60 -67.51 -46.69 72.16 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.549 -0.908 . . . . 72.21 108.549 173.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 82.8 mt -64.46 -37.05 86.18 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.999 0.812 . . . . 70.44 111.256 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.08 -40.47 78.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 123.769 0.668 . . . . 74.13 109.531 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 t -71.08 -37.23 72.45 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.375 -0.829 . . . . 74.12 111.127 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 41.0 t -63.59 -51.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 C-N-CA 123.31 0.644 . . . . 62.01 109.354 175.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.03 -28.33 69.51 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.247 1.019 . . . . 65.12 111.967 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.44 -47.56 69.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.645 0.778 . . . . 53.53 109.699 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.49 -40.03 96.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.08 0.552 . . . . 72.24 110.964 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 96.2 mt -62.96 -32.85 74.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.332 0.653 . . . . 74.13 110.82 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -71.85 -41.61 67.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.607 0.763 . . . . 75.03 110.773 173.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.54 74.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.589 0.756 . . . . 65.32 111.818 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.43 -24.94 17.12 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.703 0.801 . . . . 53.33 111.21 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.92 20.48 50.03 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 116.143 -0.48 . . . . 53.02 112.735 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -94.84 3.01 67.19 Favored Glycine 0 C--N 1.347 1.161 0 CA-C-O 119.553 -0.582 . . . . 43.43 113.547 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.59 43.79 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 117.407 0.604 . . . . 61.32 111.697 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -65.61 -28.3 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-N 115.726 -0.67 . . . . 71.34 109.959 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -62.99 -44.95 94.62 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.237 0.615 . . . . 64.24 111.12 175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.579 ' HA ' HG21 ' A' ' 89' ' ' ILE . 94.4 t -63.71 -49.89 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.568 0.747 . . . . 71.41 110.731 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' HD21 ' A' ' 9' ' ' LEU . 49.5 mtpt -62.53 -45.69 91.81 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 123.763 0.664 . . . . 71.12 111.522 -176.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.477 HG22 ' NE2' ' A' ' 76' ' ' GLN . 94.5 m -64.43 -44.67 90.44 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.877 0.736 . . . . 74.13 110.877 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -61.93 -47.43 84.92 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.574 0.546 . . . . 74.43 110.543 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -67.01 -29.22 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.684 0.794 . . . . 54.51 111.229 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.5 m -67.63 -39.04 84.66 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.671 0.272 . . . . 73.11 110.53 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' NE2' HG22 ' A' ' 72' ' ' THR . 46.7 mt-30 -77.98 -63.22 1.44 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 64.24 111.167 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 t -62.35 137.34 58.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.337 0.655 . . . . 74.03 110.267 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -113.14 14.5 19.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.488 0.715 . . . . 70.04 109.835 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.48 149.1 40.47 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.483 1.113 . . . . 73.11 110.18 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.606 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 83.7 mtt180 -116.28 145.51 35.22 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 123.7 0.8 . . . . 75.41 111.449 -177.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.01 122.26 9.13 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.176 2.584 . . . . 74.03 110.959 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -139.18 148.61 43.39 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.993 -1.114 . . . . 65.14 107.993 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.3 tp -47.19 118.42 2.13 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 124.077 0.951 . . . . 64.41 113.308 -168.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.69 -13.34 67.7 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.303 0.478 . . . . 71.32 113.928 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -126.31 104.72 8.35 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.234 1.413 . . . . 72.41 110.436 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.99 143.28 28.0 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.488 0.715 . . . . 71.42 110.872 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.82 90.87 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.574 -0.899 . . . . 61.11 108.574 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.8 t -79.29 107.89 12.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.079 -0.964 . . . . 74.23 109.601 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.579 HG21 ' HA ' ' A' ' 70' ' ' VAL . 73.9 mt -90.31 107.48 20.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.56 0.744 . . . . 65.2 110.127 -177.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.82 115.0 3.54 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.457 2.105 . . . . 72.23 110.68 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.22 107.33 18.44 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.996 -0.742 . . . . 71.23 108.996 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 95.78 1.66 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.162 -1.051 . . . . 72.52 108.162 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 108.23 -1.026 . . . . 63.32 108.23 168.287 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 109.0 -0.741 . . . . 75.24 109.0 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.53 -27.59 71.12 Favored Glycine 0 C--N 1.345 1.036 0 C-N-CA 121.713 -0.279 . . . . 64.04 112.631 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 35.2 tt0 -64.07 -51.66 63.0 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.543 0.737 . . . . 75.43 109.842 171.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -65.06 -33.54 76.28 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.592 0.757 . . . . 62.32 112.011 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.476 HD21 HG21 ' A' ' 20' ' ' VAL . 59.7 tp -64.18 -42.26 96.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 109.615 -0.513 . . . . 61.1 109.615 174.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' HB2' HD13 ' A' ' 54' ' ' LEU . 72.2 ttt180 -65.55 -40.57 93.01 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.241 0.616 . . . . 74.32 110.724 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 14.8 mm100 -64.48 -34.42 78.17 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.018 0.527 . . . . 62.23 110.221 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.86 -34.03 77.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.026 0.93 . . . . 74.33 110.49 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.1 mt -77.91 -34.89 51.19 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.848 0.859 . . . . 54.1 110.066 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -27.35 60.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.124 0.97 . . . . 63.24 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.8 -39.95 25.84 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.909 0.484 . . . . 75.33 110.5 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -77.88 -55.24 5.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.853 -0.612 . . . . 73.54 111.474 -173.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -114.06 -15.75 12.23 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 74.14 112.035 -171.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.73 18.57 75.11 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 123.368 0.418 . . . . 70.33 113.33 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.61 142.93 29.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.97 0.908 . . . . 71.54 109.105 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -88.94 102.13 14.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.658 0.783 . . . . 64.41 109.834 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.52 148.08 23.61 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.622 0.769 . . . . 71.24 111.511 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -61.71 146.25 49.82 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.287 -0.869 . . . . 70.54 109.224 165.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG23 HG21 ' A' ' 57' ' ' VAL . 15.3 m -138.7 127.32 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 108.741 -0.837 . . . . 61.32 108.741 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -119.1 149.68 41.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.118 0.567 . . . . 75.24 110.934 -175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' HB3' HD11 ' A' ' 29' ' ' ILE . 56.5 m-85 -91.78 148.48 22.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 74.51 110.379 171.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -141.38 128.51 20.87 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.204 -0.665 . . . . 73.1 109.204 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -111.46 101.5 9.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.818 0.847 . . . . 73.41 109.499 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -145.44 141.28 28.24 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.28 0.632 . . . . 73.22 109.979 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 68.36 21.1 8.45 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.956 1.303 . . . . 73.33 110.811 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.29 -3.43 84.69 Favored Glycine 0 C--N 1.36 1.899 0 CA-C-N 115.728 -0.669 . . . . 54.43 113.345 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -103.2 160.91 14.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.154 0.982 . . . . 72.45 111.183 -172.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.577 HD11 ' HB3' ' A' ' 22' ' ' PHE . 8.9 tp -119.03 129.73 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.946 0.898 . . . . 71.34 109.455 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -125.49 121.77 34.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.31 1.044 . . . . 72.24 109.447 -175.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.3 tp -91.17 96.63 10.68 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.73 -0.841 . . . . 64.44 108.73 170.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -88.38 107.56 18.91 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.837 0.855 . . . . 74.22 110.401 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 58.3 t -68.44 115.5 6.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.518 0.727 . . . . 72.35 109.372 174.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.2 mmt -77.16 150.92 35.49 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.276 1.03 . . . . 71.33 111.806 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 20.0 p90 -67.15 -21.07 65.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.562 1.545 . . . . 55.31 111.597 172.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.3 116.31 10.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.396 0.678 . . . . 63.23 110.176 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -106.37 157.13 17.84 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.961 0.905 . . . . 73.22 108.838 169.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.29 -25.65 65.9 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.125 0.891 . . . . 63.33 112.857 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -77.95 13.71 1.32 Allowed 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.063 0.764 . . . . 75.2 113.063 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -103.23 142.05 34.84 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.591 0.756 . . . . 74.4 110.231 168.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -16.22 59.57 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.986 0.915 . . . . 63.22 110.87 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 m -83.59 0.84 45.0 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.858 0.863 . . . . 72.02 112.102 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -62.93 130.79 94.3 Favored Pre-proline 0 CA--C 1.559 1.319 0 C-N-CA 123.508 0.723 . . . . 71.32 110.429 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.59 -11.28 30.72 Favored 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 123.279 2.653 . . . . 61.31 113.755 -169.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.472 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 57.8 mtm -126.35 166.51 17.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.168 0.987 . . . . 75.23 110.062 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.534 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 90.9 m-20 -79.6 176.3 9.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.336 -0.847 . . . . 73.43 109.411 168.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.28 -40.59 86.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.371 0.668 . . . . 60.4 111.626 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -63.4 -50.75 68.62 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.537 -0.756 . . . . 70.25 109.702 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.5 mm-40 -65.36 -28.02 68.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.582 0.753 . . . . 70.01 111.667 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.427 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 21.4 t80 -68.57 -49.29 60.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.498 0.719 . . . . 72.53 110.446 174.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -70.7 -30.57 67.17 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.163 -0.471 . . . . 75.41 109.963 -175.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.2 -39.44 78.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.433 0.693 . . . . 71.34 110.653 171.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -62.84 -34.16 76.75 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.013 0.925 . . . . 75.34 111.051 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 7' ' ' ARG . 97.6 mt -69.93 -39.35 76.18 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.364 0.666 . . . . 64.25 110.536 178.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.26 -30.36 63.4 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.482 -0.781 . . . . 74.11 109.994 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -64.39 -44.16 92.18 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.437 1.095 . . . . 71.34 110.635 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 20' ' ' VAL . 40.4 t -67.8 -46.93 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 115.531 -0.759 . . . . 73.41 110.58 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -26.19 68.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.97 0.908 . . . . 72.14 111.655 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -65.25 -45.65 83.72 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.104 0.961 . . . . 73.41 110.091 173.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -68.25 -31.98 71.84 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.066 -0.516 . . . . 71.0 111.575 174.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 73.0 mt -67.18 -30.3 70.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 122.672 0.389 . . . . 63.14 111.014 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -79.51 -42.24 25.65 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.393 0.277 . . . . 74.03 110.404 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.6 95.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.874 0.87 . . . . 43.35 111.867 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -87.1 -21.78 25.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.972 -1.013 . . . . 73.0 111.124 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.7 16.13 73.87 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.827 -0.509 . . . . 72.13 111.827 -169.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.73 -3.44 89.08 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 119.118 -0.823 . . . . 61.41 114.016 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.15 87.66 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 117.573 0.686 . . . . 64.13 111.136 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.79 -33.17 61.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 114.907 -1.042 . . . . 50.33 110.046 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -70.05 -35.13 74.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.248 0.619 . . . . 73.43 111.137 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.539 ' HA ' HG21 ' A' ' 89' ' ' ILE . 77.8 t -68.72 -47.96 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.457 0.703 . . . . 72.2 110.245 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.2 -44.6 97.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.659 0.784 . . . . 74.31 111.602 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.5 m -69.22 -41.82 76.54 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.345 0.658 . . . . 62.24 111.195 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.39 -50.52 67.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.162 -0.472 . . . . 73.42 109.851 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.438 ' HA ' HG22 ' A' ' 77' ' ' THR . 12.4 mt -63.24 -35.45 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.909 0.884 . . . . 74.24 111.673 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.8 m -60.96 -53.45 57.06 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.168 0.508 . . . . 52.02 110.748 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.53 -32.3 42.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.279 -0.873 . . . . 65.5 112.52 -170.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 74' ' ' ILE . 9.3 t -70.44 145.71 50.82 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.813 -0.439 . . . . 73.3 109.813 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -108.92 0.18 20.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.807 0.843 . . . . 74.1 109.623 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.46 152.4 36.17 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.776 0.83 . . . . 60.52 112.667 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 97.2 mtt180 -123.0 148.94 55.6 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-N 114.184 -1.371 . . . . 71.21 109.583 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.419 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 37.1 Cg_endo -64.37 122.73 10.76 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.611 2.207 . . . . 71.33 110.332 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.477 HH11 ' HD3' ' A' ' 85' ' ' LYS . 43.3 ttm180 -128.16 146.65 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.421 -1.263 . . . . 75.24 107.789 -166.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.98 89.57 0.08 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.566 0.746 . . . . 75.41 110.497 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.32 -19.86 9.81 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 115.681 -0.69 . . . . 74.22 112.822 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.477 ' HD3' HH11 ' A' ' 82' ' ' ARG . 65.3 tttm -122.59 102.45 8.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.486 0.714 . . . . 55.31 110.033 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.88 147.02 29.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.86 0.864 . . . . 52.23 110.387 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 59.5 t -77.74 89.59 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.021 -1.103 . . . . 53.41 108.021 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -77.49 111.93 13.73 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.917 -0.772 . . . . 61.43 108.917 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.539 HG21 ' HA ' ' A' ' 70' ' ' VAL . 50.9 mt -101.83 100.28 14.21 Favored Pre-proline 0 CA--C 1.547 0.834 0 N-CA-C 108.746 -0.835 . . . . 44.12 108.746 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.98 113.26 3.35 Favored 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 122.013 1.809 . . . . 71.22 110.028 176.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.528 ' HB2' HG23 ' A' ' 29' ' ' ILE . 42.1 mt -77.84 95.3 4.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.398 -1.334 . . . . 62.43 107.398 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.45 102.15 0.39 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.045 -0.724 . . . . 75.54 109.045 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.7 mt . . . . . 0 N--CA 1.472 0.647 0 C-N-CA 124.285 1.034 . . . . 63.12 108.297 175.062 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.244 0.785 0 N-CA-C 109.215 -0.661 . . . . 73.32 109.215 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.87 64.74 Favored Glycine 0 C--N 1.345 1.032 0 O-C-N 123.485 0.491 . . . . 54.43 112.663 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.51 -57.02 14.52 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.019 0.928 . . . . 65.32 109.772 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.67 -37.9 87.8 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.817 0.847 . . . . 72.24 111.793 -175.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 20' ' ' VAL . 41.8 tp -65.78 -43.61 88.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.129 0.572 . . . . 74.42 110.438 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -61.82 -48.14 81.91 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 71.32 110.308 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.95 -20.67 65.93 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 114.927 -1.033 . . . . 75.21 111.726 -176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -72.67 -41.27 65.58 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.464 0.706 . . . . 64.42 110.251 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.88 -31.29 66.28 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.106 -0.952 . . . . 71.43 110.1 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.7 mt -78.4 -32.78 48.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.113 0.965 . . . . 62.53 111.413 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.39 -43.65 85.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.711 0.804 . . . . 71.05 110.189 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -89.09 -61.57 1.67 Allowed 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.14 -0.937 . . . . 70.44 110.93 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.2 m0 -98.51 -29.06 13.31 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.067 -0.515 . . . . 72.33 112.068 -170.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.46 19.69 61.66 Favored Glycine 0 N--CA 1.473 1.155 0 O-C-N 123.195 0.309 . . . . 52.11 113.762 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.22 139.13 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.578 -0.897 . . . . 73.54 108.578 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -84.74 74.81 10.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.662 -0.496 . . . . 70.43 109.662 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -71.08 155.19 41.08 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.767 0.427 . . . . 74.52 110.819 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -98.58 144.4 27.93 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.485 -0.561 . . . . 75.31 109.485 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 HG21 ' A' ' 57' ' ' VAL . 29.4 m -121.11 151.34 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.436 0.694 . . . . 42.21 110.098 -174.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -142.07 141.78 32.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.799 0.44 . . . . 63.54 111.465 -176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' ' HA ' ' A' ' 57' ' ' VAL . 72.8 m-85 -81.52 130.22 34.97 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.92 0.488 . . . . 75.13 110.153 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -124.96 129.82 51.11 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.783 -0.821 . . . . 61.0 108.783 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -113.75 106.93 15.08 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.552 0.741 . . . . 74.12 109.212 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -144.72 138.54 27.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.87 0.868 . . . . 73.34 109.318 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 64.6 20.76 12.25 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.868 1.267 . . . . 75.42 112.756 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.37 9.33 85.88 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 116.927 -0.124 . . . . 64.22 113.08 -174.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -103.51 168.54 9.09 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.242 1.017 . . . . 51.55 109.451 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.6 tp -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-O 121.562 0.696 . . . . 65.04 109.699 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -128.04 121.15 29.0 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.252 1.021 . . . . 73.45 109.38 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -90.45 98.02 11.53 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.118 -1.067 . . . . 61.23 108.118 173.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -85.01 109.79 18.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.4 0.68 . . . . 63.43 110.323 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 21.6 t -73.52 109.26 5.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.531 -0.915 . . . . 75.02 108.531 169.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.7 mmt -66.08 155.93 35.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.71 0.804 . . . . 75.11 111.206 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.434 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 29.4 p90 -77.53 -7.14 55.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.313 1.045 . . . . 70.55 111.354 176.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -90.37 139.81 30.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.385 0.674 . . . . 60.04 109.986 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -131.67 155.83 46.92 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.508 1.123 . . . . 74.24 109.5 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.68 -25.78 65.02 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.987 0.915 . . . . 52.25 113.226 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.46 -15.98 63.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 122.923 0.489 . . . . 54.21 112.016 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.94 144.98 54.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.424 0.689 . . . . 35.03 111.24 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.13 -16.88 39.01 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.31 1.044 . . . . 73.51 110.68 174.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -94.36 5.36 52.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.158 0.983 . . . . 72.52 111.393 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.54 123.71 85.27 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 123.342 0.657 . . . . 73.21 110.23 -175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -76.18 5.21 4.72 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 123.114 2.543 . . . . 72.22 115.013 -166.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtm -129.42 152.03 49.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.673 0.789 . . . . 71.34 109.524 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 80.6 m-20 -71.82 166.17 22.59 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.839 -0.8 . . . . 73.4 108.839 168.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.836 0.454 . . . . 64.21 111.034 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.0 m -63.48 -46.52 85.78 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.192 0.597 . . . . 75.2 110.377 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 26.3 mm-40 -63.05 -38.89 93.0 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.156 0.582 . . . . 72.02 110.986 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 27.0 t80 -62.53 -50.81 69.88 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.823 -1.081 . . . . 72.21 110.942 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -69.61 -37.89 77.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.943 0.897 . . . . 62.42 111.245 -173.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -69.85 -31.02 68.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.29 0.636 . . . . 62.22 111.165 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.63 -37.92 80.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.388 -0.369 . . . . 74.44 110.275 175.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 83.5 mt -63.22 -41.51 99.14 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.538 0.524 . . . . 74.5 110.718 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.08 -31.96 64.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.467 -0.788 . . . . 73.01 110.568 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 t -68.53 -37.3 79.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.798 0.839 . . . . 72.52 110.931 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 20' ' ' VAL . 38.2 t -66.65 -49.17 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.657 -0.702 . . . . 75.44 109.589 174.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.43 69.29 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.419 1.088 . . . . 73.32 111.803 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -68.63 -42.19 78.38 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.882 0.873 . . . . 74.21 109.871 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.64 -36.48 78.66 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.626 0.37 . . . . 70.13 111.361 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.15 -21.79 66.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.275 0.63 . . . . 62.3 111.704 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -75.9 -54.18 7.28 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.132 0.973 . . . . 74.32 110.077 173.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.49 70.36 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.731 0.812 . . . . 35.22 111.644 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' A' ' 93' ' ' LEU . 85.4 mt -70.55 -29.11 65.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.209 1.004 . . . . 73.43 111.308 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.44 32.24 31.54 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.805 -0.634 . . . . 60.32 112.693 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -101.73 1.27 52.44 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 119.181 -0.788 . . . . 31.41 113.882 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.94 86.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.578 0.689 . . . . 74.21 112.305 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.11 -36.51 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.281 -0.872 . . . . 62.1 110.005 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.45 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 13.5 mm-40 -64.36 -38.67 91.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.433 0.693 . . . . 61.4 111.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 66' ' ' GLY . 98.1 t -68.35 -47.92 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.673 0.789 . . . . 52.12 110.256 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.7 -36.33 83.51 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.198 -0.91 . . . . 72.14 111.543 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -69.52 -47.91 62.21 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.29 0.636 . . . . 74.13 110.143 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.9 -58.18 7.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.923 0.489 . . . . 71.03 110.884 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.13 -47.66 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.872 0.869 . . . . 60.12 111.635 -173.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.7 m -64.73 -30.63 71.65 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.71 0.404 . . . . 74.12 111.675 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -99.82 -12.7 19.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.408 0.892 . . . . 72.03 113.408 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -87.81 146.1 25.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.679 0.672 . . . . 71.43 110.789 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -105.52 7.09 32.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.465 0.706 . . . . 75.2 110.221 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.29 142.26 37.91 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.537 0.735 . . . . 74.11 110.177 174.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 52.2 mtt180 -119.26 147.08 42.24 Favored Pre-proline 0 N--CA 1.472 0.645 0 C-N-CA 123.681 0.792 . . . . 73.55 109.873 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.434 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 24.1 Cg_exo -63.38 120.08 7.39 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.311 2.008 . . . . 71.13 110.934 171.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -126.72 159.35 33.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.625 0.77 . . . . 74.21 109.435 -175.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.8 tp -56.65 110.16 0.74 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.641 0.776 . . . . 54.33 111.61 -174.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.26 -30.06 10.65 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 123.58 0.55 . . . . 74.45 112.636 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -109.09 105.21 14.59 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.803 0.841 . . . . 73.13 110.873 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.02 150.64 24.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.591 0.756 . . . . 71.34 110.448 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 84.1 t -80.09 89.75 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 N-CA-C 108.635 -0.876 . . . . 70.24 108.635 173.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.7 t -76.86 98.8 4.98 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.199 1.0 . . . . 65.25 109.066 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.9 mt -82.33 108.49 11.96 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.866 0.866 . . . . 40.04 109.264 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.57 114.44 3.7 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.731 1.621 . . . . 75.22 111.053 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.0 mt -86.46 104.86 16.33 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 109.427 -0.583 . . . . 75.31 109.427 -178.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 15.8 t70 -75.7 97.62 3.87 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.226 -0.657 . . . . 72.41 109.226 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 64' ' ' LEU . 47.7 mt . . . . . 0 N--CA 1.474 0.727 0 C-N-CA 123.333 0.653 . . . . 74.31 110.066 -174.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 110.151 -0.315 . . . . 61.43 110.151 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.98 -22.77 78.68 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.079 0.237 . . . . 60.54 112.91 172.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -62.01 -52.93 61.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.588 0.755 . . . . 70.32 109.225 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.399 -0.818 . . . . 71.03 112.153 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.468 HD21 HG21 ' A' ' 20' ' ' VAL . 55.5 tp -69.27 -42.43 75.55 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.215 0.606 . . . . 75.31 109.623 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.435 ' HB2' HD13 ' A' ' 54' ' ' LEU . 79.7 ttt180 -67.05 -43.45 82.68 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.926 -0.579 . . . . 62.31 110.917 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -60.4 -33.41 72.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.005 0.522 . . . . 75.55 110.425 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.78 -28.3 68.28 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.877 0.471 . . . . 70.43 111.125 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -85.11 -31.17 23.48 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.082 0.553 . . . . 64.33 110.811 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.91 -44.25 18.57 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.675 0.79 . . . . 45.12 111.874 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.29 -36.65 80.65 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.008 0.523 . . . . 71.42 111.063 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -75.17 -65.73 0.85 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.172 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -101.95 -39.03 7.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.33 -0.85 . . . . 74.02 111.381 -172.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.76 6.48 46.41 Favored Glycine 0 N--CA 1.477 1.379 0 CA-C-N 116.619 -0.264 . . . . 73.34 112.815 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.95 138.08 41.97 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.027 0.931 . . . . 71.42 109.509 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -90.27 93.79 9.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 74.31 109.548 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 62.3 m-85 -81.48 145.46 30.72 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.295 0.638 . . . . 75.23 110.439 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.7 p-10 -70.65 118.89 14.01 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.333 -0.617 . . . . 73.52 109.333 176.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 6' ' ' LEU . 15.4 m -103.42 126.9 57.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.627 0.727 . . . . 60.11 109.688 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -122.63 -178.14 3.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.989 1.316 . . . . 71.12 109.884 -172.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' A' ' 29' ' ' ILE . 63.8 m-85 -121.5 142.23 50.26 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.212 0.529 . . . . 64.52 111.614 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.617 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 34.5 ttm180 -119.95 129.4 54.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.889 1.276 . . . . 74.04 108.302 172.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -119.75 98.99 6.37 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.31 -0.996 . . . . 61.24 108.31 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 t -141.0 135.32 31.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.971 0.508 . . . . 75.21 110.148 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 63.1 30.21 16.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.536 1.135 . . . . 72.44 111.306 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.05 6.82 69.31 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.721 -0.672 . . . . 62.3 113.776 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -104.9 155.92 18.49 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.909 0.884 . . . . 73.03 110.222 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -115.23 142.08 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.458 0.703 . . . . 74.3 109.29 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.617 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 73.8 m-85 -135.87 135.47 39.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.343 1.057 . . . . 73.21 108.701 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 39.3 tp -93.25 107.18 19.04 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.171 0.441 . . . . 62.01 109.928 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -87.55 98.22 11.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.792 0.837 . . . . 75.1 112.097 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.606 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -73.13 103.85 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 108.353 -0.98 . . . . 73.33 108.353 169.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.51 167.31 19.95 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.059 0.544 . . . . 74.43 111.112 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -78.96 -18.2 54.15 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.76 0.824 . . . . 71.45 111.827 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -85.31 146.22 27.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.965 0.506 . . . . 61.24 109.661 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 18' ' ' TYR . 11.7 p90 -138.3 159.44 42.04 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.191 0.996 . . . . 63.31 109.409 -177.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.539 HD21 ' HG3' ' A' ' 47' ' ' GLU . 59.4 tp -57.85 -25.25 60.45 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.061 0.945 . . . . 64.23 112.818 -172.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.09 29.5 0.34 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.201 0.6 . . . . 74.54 112.321 -174.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -100.3 155.37 17.82 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.237 1.015 . . . . 54.2 109.527 168.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -38.83 53.15 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.525 0.73 . . . . 63.14 110.947 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -111.93 76.03 0.95 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.661 0.785 . . . . 74.44 109.179 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 31.1 t80 -93.99 135.09 25.08 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 108.92 -0.77 . . . . 64.42 108.92 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 43' ' ' PHE . 8.8 Cg_endo -47.12 -34.23 17.0 Favored 'Trans proline' 0 C--N 1.385 2.497 0 C-N-CA 124.504 3.47 . . . . 72.25 114.936 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -116.21 152.28 34.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 52.41 109.82 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -74.43 165.14 25.7 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.069 -0.345 . . . . 63.23 110.069 170.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HG3' HD21 ' A' ' 38' ' ' LEU . 38.4 tt0 -57.24 -50.01 74.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.823 0.849 . . . . 74.53 112.767 -174.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -66.46 -40.43 89.38 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.456 0.472 . . . . 74.04 110.669 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.6 -42.58 95.48 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.428 -0.805 . . . . 72.4 110.49 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' HE1' ' HA ' ' A' ' 19' ' ' ASP . 43.1 t80 -66.51 -43.82 84.23 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.49 -1.232 . . . . 74.34 111.326 -178.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -64.01 -42.77 97.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.144 0.578 . . . . 72.55 110.981 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.81 -23.67 58.52 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.339 -0.846 . . . . 65.21 110.833 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -74.36 -32.69 62.87 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.867 0.467 . . . . 61.42 110.325 173.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 7' ' ' ARG . 85.9 mt -64.1 -36.99 85.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.882 0.473 . . . . 65.21 110.026 173.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.58 -30.57 65.98 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.118 -0.946 . . . . 75.2 110.675 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -68.85 -43.98 74.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.493 0.717 . . . . 54.02 110.479 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 HG23 ' A' ' 20' ' ' VAL . 52.9 t -64.53 -45.72 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.419 0.688 . . . . 73.33 110.29 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -67.7 -27.5 66.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 72.25 111.403 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -67.32 -41.08 85.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.479 -0.782 . . . . 73.23 110.219 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.734 0.413 . . . . 74.21 111.372 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 89.8 mt -61.49 -38.38 87.09 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.812 -0.631 . . . . 54.13 110.397 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -75.52 -37.63 59.96 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.965 0.506 . . . . 71.53 110.695 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.37 68.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.622 0.769 . . . . 74.51 112.168 -174.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.1 mt -98.6 -26.09 14.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.734 0.813 . . . . 75.13 110.391 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 3.47 56.99 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.837 -0.62 . . . . 74.13 113.182 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -82.17 5.77 70.52 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 119.189 -0.784 . . . . 60.13 114.463 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.86 71.08 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 117.667 0.733 . . . . 61.25 111.977 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.82 -34.83 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 115.785 -0.643 . . . . 61.04 110.409 175.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.88 -36.77 85.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.24 0.616 . . . . 71.21 111.365 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HG21 ' A' ' 89' ' ' ILE . 90.4 t -67.59 -51.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.294 0.638 . . . . 51.41 110.69 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.47 -48.15 82.77 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.883 -1.053 . . . . 55.43 111.378 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.1 m -63.97 -44.54 92.41 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.745 0.818 . . . . 74.33 111.428 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.41 -49.99 71.58 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.57 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.65 -31.82 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.34 0.656 . . . . 74.53 111.469 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.23 -36.64 82.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.868 0.467 . . . . 52.22 111.408 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -84.59 -57.69 3.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.168 0.587 . . . . 62.13 111.889 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.7 t -58.03 151.7 18.07 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.937 0.895 . . . . 75.44 111.785 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -129.3 20.25 5.77 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.889 0.876 . . . . 62.4 109.127 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.48 143.86 36.27 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.782 0.833 . . . . 74.11 110.777 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -114.52 136.69 22.41 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.961 0.904 . . . . 73.14 110.813 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.01 125.4 15.8 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.229 2.619 . . . . 60.45 113.308 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HB3' ' HB2' ' A' ' 85' ' ' LYS . 70.4 ttt180 -127.73 158.21 38.26 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.309 1.444 . . . . 75.13 108.887 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.53 104.84 0.37 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.66 0.664 . . . . 72.34 109.617 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.39 -33.59 5.6 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 111.749 -0.54 . . . . 71.42 111.749 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 5.9 mptp? -103.57 112.06 24.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.581 0.752 . . . . 73.45 110.183 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.4 38.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.517 0.727 . . . . 72.21 109.188 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.606 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 40.3 t -80.2 89.36 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 108.414 -0.958 . . . . 53.31 108.414 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 t -77.48 102.68 7.01 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.083 -1.08 . . . . 60.0 108.083 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.558 HG21 ' HA ' ' A' ' 70' ' ' VAL . 71.8 mt -82.89 110.4 22.74 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 124.071 0.948 . . . . 73.5 109.165 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.3 113.08 3.68 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 121.789 1.659 . . . . 72.15 111.469 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.402 HD12 HG23 ' A' ' 29' ' ' ILE . 26.1 mt -89.01 93.09 9.48 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.937 -1.134 . . . . 60.43 107.937 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.94 84.26 3.48 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 114.947 -1.024 . . . . 63.32 109.492 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.472 0.643 0 CA-C-N 114.805 -1.089 . . . . 74.42 111.113 -170.838 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.413 HG22 ' HG2' ' A' ' 5' ' ' GLU . 9.8 t . . . . . 0 C--O 1.247 0.959 0 N-CA-C 109.637 -0.505 . . . . 71.41 109.637 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.57 -18.75 59.38 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 115.62 -0.718 . . . . 74.22 113.902 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.92 -36.39 69.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.34 0.656 . . . . 72.53 110.386 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG2' HG22 ' A' ' 2' ' ' THR . 12.9 mm-40 -66.4 -48.67 69.31 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.22 0.534 . . . . 62.05 110.249 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.686 HD21 HG21 ' A' ' 20' ' ' VAL . 24.7 tp -65.6 -39.46 91.57 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.389 -1.278 . . . . 72.41 110.585 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.13 -53.18 61.0 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.102 0.961 . . . . 62.4 109.929 173.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.96 83.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.898 -1.046 . . . . 64.22 109.829 -176.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.39 -36.29 83.66 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.525 0.73 . . . . 55.32 111.414 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.0 mt -77.93 -31.78 51.2 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.188 0.595 . . . . 55.05 110.334 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.56 -25.41 50.06 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.629 0.772 . . . . 73.24 111.465 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.31 -46.31 16.37 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.896 0.878 . . . . 74.25 108.87 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -74.41 -60.33 2.32 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.01 -0.996 . . . . 71.44 111.847 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -105.81 -24.01 12.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.153 0.581 . . . . 73.52 112.031 -170.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.43 17.72 70.55 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 113.37 0.108 . . . . 70.41 113.37 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 86.4 m-85 -135.48 141.95 45.42 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.747 0.819 . . . . 73.42 109.688 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 p -83.76 73.45 10.28 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.061 -0.972 . . . . 61.51 110.398 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 71.1 m-85 -71.31 156.8 39.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.365 0.666 . . . . 73.24 112.574 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.54 126.17 42.67 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.426 -0.953 . . . . 71.32 108.426 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.686 HG21 HD21 ' A' ' 6' ' ' LEU . 30.8 m -105.28 135.57 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.294 0.637 . . . . 61.43 109.438 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.45 128.28 37.11 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.67 0.388 . . . . 75.15 110.853 -173.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -67.69 149.21 50.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.2 0.6 . . . . 72.24 111.212 172.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -159.62 122.66 3.57 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.522 -0.763 . . . . 73.11 109.601 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -92.61 104.52 16.8 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.438 -0.949 . . . . 71.4 108.438 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -142.02 140.27 32.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.569 0.748 . . . . 45.42 109.631 -175.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 65.13 16.71 10.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.541 1.136 . . . . 73.45 112.193 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.27 -14.42 62.37 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.762 0.696 . . . . 40.52 112.546 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 51.4 mttm -108.55 162.85 13.75 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.731 0.813 . . . . 75.25 110.918 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -92.29 135.59 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 109.126 -0.694 . . . . 71.55 109.126 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 28' ' ' LYS . 66.5 m-85 -130.43 145.92 51.9 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.506 1.122 . . . . 70.34 108.797 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -106.63 97.65 7.42 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.038 -0.727 . . . . 74.4 109.038 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -87.97 109.46 19.83 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.889 0.376 . . . . 71.22 110.604 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.626 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 47.4 t -68.92 107.95 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.323 -0.853 . . . . 70.01 109.149 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.4 mmt -66.98 155.55 38.3 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.454 0.702 . . . . 54.34 111.413 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -70.54 -9.59 57.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.904 1.282 . . . . 74.03 111.603 171.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -75.82 128.43 35.13 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.136 0.974 . . . . 74.02 109.569 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -138.01 153.24 49.41 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.795 0.838 . . . . 72.22 110.063 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 tp -65.25 -17.68 64.7 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.7 0.8 . . . . 73.54 112.704 -168.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.72 -29.09 70.35 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.491 0.716 . . . . 75.33 111.487 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -84.2 139.67 32.23 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.032 0.533 . . . . 63.4 110.133 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.52 3.62 35.68 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.041 0.936 . . . . 75.02 111.783 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 m -102.56 17.2 24.27 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.579 0.752 . . . . 53.51 111.255 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.24 134.06 93.39 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 123.838 0.855 . . . . 75.11 110.72 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -52.78 -36.98 75.56 Favored 'Trans proline' 0 C--N 1.384 2.416 0 C-N-CA 123.842 3.028 . . . . 74.12 114.899 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -112.14 176.91 4.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.511 0.672 . . . . 74.2 111.065 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -84.09 -175.17 5.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 114.893 -1.049 . . . . 60.44 109.927 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.62 -59.9 4.02 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.113 0.965 . . . . 72.02 111.208 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 m -64.51 -42.17 95.97 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.43 0.692 . . . . 62.12 110.191 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.2 -39.73 75.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.646 0.778 . . . . 73.34 111.758 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 19.7 t80 -65.48 -47.18 76.96 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.396 0.678 . . . . 72.31 111.366 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -66.69 -35.56 80.42 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.975 0.416 . . . . 72.53 110.844 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.66 -23.36 49.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.613 0.765 . . . . 54.14 111.098 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.24 -45.9 82.77 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 109.238 -0.653 . . . . 53.35 109.238 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 95.0 mt -61.11 -39.71 91.04 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.76 0.662 . . . . 73.35 110.449 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.35 -32.41 70.1 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.153 0.908 . . . . 72.21 111.151 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -72.87 -41.55 64.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.545 -0.752 . . . . 75.02 110.352 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.13 -49.34 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.402 -0.817 . . . . 71.53 110.003 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -24.74 67.27 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 124.301 1.04 . . . . 63.51 112.059 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -62.81 -49.46 74.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.09 0.956 . . . . 73.0 109.988 171.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -72.47 -26.35 61.78 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.318 -0.401 . . . . 45.23 112.003 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.16 -40.16 95.54 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.077 -0.342 . . . . 73.33 110.077 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.13 -50.08 51.23 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.755 -0.657 . . . . 73.0 109.897 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 -50.49 73.1 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.573 1.149 . . . . 73.11 113.058 -172.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.17 -14.22 53.88 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.657 -0.701 . . . . 54.54 111.571 -175.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.52 30.82 39.06 Favored Glycine 0 C--N 1.354 1.539 0 O-C-N 123.417 0.448 . . . . 71.42 112.715 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.56 12.04 35.84 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.692 -0.504 . . . . 72.02 113.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.32 66.19 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.085 0.554 . . . . 52.11 111.652 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.95 -31.09 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 115.343 -0.844 . . . . 55.34 110.177 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.477 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.5 mm-40 -63.45 -38.4 90.98 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.959 0.504 . . . . 74.44 110.948 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.402 ' HA ' HG21 ' A' ' 89' ' ' ILE . 95.6 t -70.96 -47.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.544 0.738 . . . . 71.32 110.981 178.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.34 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.129 0.572 . . . . 62.13 111.23 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.6 m -63.87 -48.47 76.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.508 0.723 . . . . 62.44 110.599 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.437 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.1 t80 -66.72 -53.93 28.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.976 -0.556 . . . . 74.42 111.025 -174.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mt -57.33 -40.42 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.481 0.712 . . . . 75.52 111.108 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -69.91 -52.03 28.06 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 122.424 0.29 . . . . 62.14 111.688 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.94 -20.68 60.3 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 112.954 0.724 . . . . 72.13 112.954 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -79.92 178.01 8.51 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -149.77 21.88 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.597 0.759 . . . . 71.13 109.058 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -85.85 128.64 34.87 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.669 -0.696 . . . . 61.23 109.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -95.42 135.39 23.26 Favored Pre-proline 0 C--O 1.241 0.648 0 O-C-N 124.174 0.922 . . . . 72.11 109.366 -177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.28 119.29 6.29 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.455 2.103 . . . . 73.21 110.317 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 74.3 ttt180 -124.36 163.71 21.16 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.175 0.99 . . . . 71.13 108.604 -176.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.24 111.59 1.26 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.805 0.442 . . . . 54.4 111.061 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.11 5.26 83.35 Favored Glycine 0 N--CA 1.478 1.492 0 O-C-N 123.325 0.391 . . . . 71.42 113.261 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 62.8 tttm -129.17 103.61 7.07 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.774 1.23 . . . . 72.01 109.722 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.4 159.66 15.86 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.899 0.479 . . . . 62.33 111.021 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.626 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 57.9 t -98.66 90.35 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.717 -1.216 . . . . 71.24 107.717 171.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -80.63 103.52 10.54 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.454 0.702 . . . . 52.34 109.613 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.437 HG12 ' CD2' ' A' ' 73' ' ' PHE . 69.0 mt -81.41 116.6 63.88 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.174 0.99 . . . . 65.1 109.632 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.99 113.5 3.8 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 121.919 1.746 . . . . 74.41 111.287 175.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.17 93.32 9.0 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.611 -1.255 . . . . 71.31 107.611 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.477 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 32.0 t70 -68.64 86.68 0.32 Allowed 'General case' 0 C--O 1.243 0.711 0 CA-C-N 114.963 -1.017 . . . . 62.34 109.911 -176.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 124.5 1.12 . . . . 71.21 109.0 -178.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 5' ' ' GLU . 9.9 t . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 109.392 -0.596 . . . . 74.12 109.392 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.67 60.18 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.067 -0.296 . . . . 63.34 113.687 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.13 -42.19 69.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.089 0.556 . . . . 74.25 109.783 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.48 ' HG2' HG22 ' A' ' 2' ' ' THR . 34.4 mm-40 -72.39 -37.6 68.66 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.851 0.46 . . . . 71.34 110.688 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.3 tp -64.94 -36.87 85.77 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.069 -0.514 . . . . 73.31 110.436 176.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -59.2 -52.95 63.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.07 0.948 . . . . 62.54 110.14 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -65.83 -24.34 66.87 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.117 -0.947 . . . . 75.35 111.942 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.34 -39.37 85.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.905 0.482 . . . . 73.34 109.993 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.3 mt -78.08 -36.42 48.21 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.558 0.743 . . . . 74.35 110.124 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.73 -31.07 66.31 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.839 0.856 . . . . 75.51 112.23 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.26 -38.93 55.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.722 0.809 . . . . 74.51 109.996 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -80.01 -66.0 0.93 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.031 -0.531 . . . . 74.23 111.254 -173.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.451 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.2 m-90 -105.56 -4.09 21.59 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.401 -0.818 . . . . 55.51 111.848 -171.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.05 7.08 84.0 Favored Glycine 0 C--N 1.35 1.328 0 N-CA-C 114.008 0.363 . . . . 73.43 114.008 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -141.69 145.73 35.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.166 0.986 . . . . 74.41 109.534 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.8 p -90.36 90.84 8.22 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.721 0.809 . . . . 73.55 110.122 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.43 151.23 24.79 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.462 0.705 . . . . 73.01 111.87 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.07 137.26 51.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.9 -0.778 . . . . 54.23 108.9 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.503 HG23 HG21 ' A' ' 57' ' ' VAL . 6.9 m -122.98 125.62 72.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.443 -0.947 . . . . 73.3 108.443 175.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -126.79 133.9 50.7 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.184 0.594 . . . . 74.43 109.727 -176.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' HB3' HD11 ' A' ' 29' ' ' ILE . 69.0 m-85 -66.94 142.61 57.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.569 0.748 . . . . 74.53 110.55 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -130.23 106.03 8.31 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -94.5 97.69 10.33 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.154 -1.054 . . . . 75.33 108.154 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -142.69 140.76 31.65 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.985 0.914 . . . . 53.45 109.346 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 65.51 21.12 11.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.405 1.482 . . . . 72.35 110.847 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.32 0.26 86.11 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 116.377 -0.374 . . . . 24.41 113.376 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -106.04 179.84 4.15 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.212 1.005 . . . . 61.25 110.371 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.0 tp -133.4 128.56 55.28 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 121.605 0.716 . . . . 70.43 110.656 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -129.78 124.8 34.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.486 1.114 . . . . 73.42 108.46 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -89.89 98.14 11.6 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.564 -0.902 . . . . 64.41 108.564 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 88' ' ' SER . 72.2 mt-30 -88.15 112.77 23.09 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.047 0.539 . . . . 71.32 111.288 -175.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.8 t -73.8 114.67 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.063 -0.972 . . . . 72.12 109.336 174.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.8 mmt -69.69 161.83 28.94 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.92 0.888 . . . . 64.44 111.284 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -82.07 -9.19 59.62 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.947 1.299 . . . . 75.22 110.159 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.0 116.83 22.43 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.78 0.832 . . . . 61.52 109.668 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -113.79 157.87 21.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.266 0.626 . . . . 74.53 110.357 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.26 -30.85 69.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.074 0.95 . . . . 73.14 112.905 -170.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.46 -16.33 63.86 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.501 0.72 . . . . 71.22 112.124 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.49 138.06 46.76 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.135 0.574 . . . . 63.33 109.756 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.81 63.7 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.02 0.928 . . . . 72.34 111.728 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.8 m -90.25 10.54 24.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.826 0.85 . . . . 63.23 112.572 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.81 129.07 93.59 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-O 118.936 -0.554 . . . . 74.31 110.015 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -63.91 -31.68 66.94 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.934 2.423 . . . . 74.12 114.23 -169.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 mtm -104.58 157.67 17.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.159 0.583 . . . . 73.15 110.733 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.614 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 52.0 m-80 -74.22 168.37 19.73 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.178 -0.465 . . . . 75.44 109.834 170.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.03 -40.76 97.03 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.842 0.857 . . . . 72.3 111.411 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 m -63.39 -48.74 76.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.727 0.811 . . . . 73.24 109.99 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.614 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.2 mm-40 -62.41 -37.52 86.13 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.552 0.741 . . . . 71.01 110.73 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -68.29 -41.33 81.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.916 0.886 . . . . 73.44 111.334 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -65.39 -43.63 90.07 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.012 0.434 . . . . 63.13 110.226 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.32 -29.06 68.53 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 115.235 -0.893 . . . . 75.34 110.717 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -68.46 -40.72 80.96 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.004 0.922 . . . . 73.25 110.072 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.52 -43.32 99.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.751 0.657 . . . . 75.1 110.363 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.56 -27.57 58.66 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.583 -0.735 . . . . 53.23 110.771 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.2 t -72.56 -36.81 68.31 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.054 0.542 . . . . 62.2 110.913 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.503 HG21 HG23 ' A' ' 20' ' ' VAL . 40.9 t -67.27 -51.71 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.237 -0.653 . . . . 71.43 109.237 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -22.23 65.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.979 0.911 . . . . 72.43 112.121 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.52 -45.67 78.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 71.42 110.656 174.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -75.52 -27.41 58.73 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.899 0.48 . . . . 72.41 111.014 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 91.9 mt -71.04 -29.79 65.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.087 0.47 . . . . 71.11 110.001 174.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -75.01 -45.84 39.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.921 0.888 . . . . 75.31 109.634 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.43 62.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.559 0.744 . . . . 72.32 111.782 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -83.12 -11.13 58.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.118 0.967 . . . . 71.54 112.117 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.97 17.31 79.96 Favored Glycine 0 C--N 1.351 1.389 0 O-C-N 123.376 0.422 . . . . 51.53 112.543 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.58 3.62 86.88 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.676 -0.513 . . . . 53.35 113.994 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.03 84.23 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.274 0.537 . . . . 72.44 111.514 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.74 -37.15 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.071 0.857 . . . . 72.23 110.064 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.59 -45.72 91.6 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.62 0.768 . . . . 64.31 112.46 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.475 ' HA ' HG21 ' A' ' 89' ' ' ILE . 67.2 t -65.19 -46.88 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.675 0.79 . . . . 61.52 110.328 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.75 -41.27 92.32 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.797 -1.092 . . . . 73.15 111.498 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -45.64 72.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.298 1.039 . . . . 62.41 110.416 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -62.13 -55.88 24.43 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.22 -0.9 . . . . 70.54 110.115 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.89 -32.85 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.453 0 C-N-CA 124.214 1.006 . . . . 74.42 111.835 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.5 m -68.88 -42.81 76.49 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.268 0.627 . . . . 74.3 111.238 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.05 -39.99 22.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.366 0.666 . . . . 72.13 112.751 -174.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 t -77.72 160.23 28.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.071 0.548 . . . . 71.1 109.689 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -125.16 12.7 8.3 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.599 0.759 . . . . 63.4 109.943 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.65 138.05 46.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.045 0.538 . . . . 75.4 110.869 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 89.8 mtt180 -107.18 142.96 26.17 Favored Pre-proline 0 N--CA 1.474 0.756 0 CA-C-N 114.976 -1.011 . . . . 73.53 109.869 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.9 118.17 5.18 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.296 1.997 . . . . 75.43 111.12 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.647 ' HB2' ' HB3' ' A' ' 85' ' ' LYS . 36.0 mmt180 -97.24 177.95 5.4 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.533 1.133 . . . . 72.31 111.242 -174.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.7 tp -81.31 92.42 6.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.823 -1.08 . . . . 73.12 109.577 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.74 -34.4 5.68 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.43 -0.805 . . . . 51.1 111.839 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 23.5 tptm -95.27 104.44 16.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.385 -0.598 . . . . 64.31 109.385 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.31 148.7 27.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.443 0.697 . . . . 55.53 110.383 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 63.2 t -74.84 89.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.293 -1.003 . . . . 54.12 108.293 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.403 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 32.0 t -78.12 94.48 4.71 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.465 -0.789 . . . . 72.44 108.964 -177.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.475 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -79.35 108.31 8.31 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 123.848 0.859 . . . . 73.52 109.568 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.5 115.22 4.26 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 121.704 1.603 . . . . 61.24 110.839 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.524 ' HB2' HG23 ' A' ' 29' ' ' ILE . 64.7 mt -83.55 95.96 8.48 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.748 -0.834 . . . . 71.04 108.748 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.11 90.82 2.53 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.64 0.733 . . . . 71.43 109.076 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 CA--C 1.54 0.58 0 CA-C-N 115.19 -0.914 . . . . 73.11 109.694 -179.726 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.3 tpp . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 109.905 -0.406 . . . . 61.53 109.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.6 p -106.96 170.67 7.81 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.612 1.165 . . . . 73.15 107.968 163.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.08 -29.11 67.54 Favored Glycine 0 C--N 1.347 1.178 0 N-CA-C 112.012 -0.435 . . . . 62.13 112.012 172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -62.19 -58.51 7.5 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.591 1.156 . . . . 74.31 110.126 171.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -58.32 -33.84 69.95 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 123.496 0.719 . . . . 62.05 111.367 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.689 HD21 HG21 ' A' ' 20' ' ' VAL . 19.2 tp -68.51 -52.84 27.83 Favored 'General case' 0 C--N 1.343 0.319 0 O-C-N 124.187 0.929 . . . . 72.42 110.484 -175.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' HD2' ' OE1' ' A' ' 51' ' ' GLN . 11.5 ptm85 -64.21 -38.57 91.54 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.348 0.405 . . . . 73.32 111.123 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -66.93 -30.58 70.76 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.105 0.562 . . . . 64.05 110.593 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.4 tp -69.81 -34.05 73.17 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.084 0.554 . . . . 64.13 110.171 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.2 mt -78.12 -38.09 44.73 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.538 0.735 . . . . 72.51 110.937 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.43 -44.64 28.41 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.037 0.935 . . . . 75.12 111.223 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.95 -32.98 74.95 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.886 0.475 . . . . 70.12 110.834 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -81.29 -65.84 0.96 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 115.973 -0.558 . . . . 61.42 111.474 -174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.543 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 7.3 m0 -105.84 -11.28 16.29 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.775 0.83 . . . . 73.2 112.241 -168.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.54 16.78 77.14 Favored Glycine 0 N--CA 1.471 1.025 0 CA-C-O 119.882 -0.399 . . . . 63.43 113.534 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 83.2 m-85 -144.49 148.2 34.23 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.24 1.016 . . . . 71.04 109.164 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.6 p -93.79 93.33 7.91 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.447 0.699 . . . . 75.54 109.525 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.453 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.5 m-85 -83.11 158.74 22.29 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.796 0.838 . . . . 72.2 112.68 -174.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -79.56 143.18 35.05 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.072 -0.967 . . . . 70.11 108.588 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.689 HG21 HD21 ' A' ' 6' ' ' LEU . 16.3 m -131.12 127.09 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.732 0.813 . . . . 62.41 108.916 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -135.01 145.11 47.76 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.382 0.673 . . . . 73.1 110.424 -176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.617 ' HB3' HD11 ' A' ' 29' ' ' ILE . 79.8 m-85 -80.96 147.38 30.27 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.857 0.863 . . . . 75.41 110.645 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -145.51 132.0 19.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.413 0.685 . . . . 75.24 109.677 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.7 128.14 49.54 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.2 1.0 . . . . 74.23 109.568 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 t -143.68 128.8 18.66 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.73 0.812 . . . . 74.43 109.341 174.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 69.09 -3.56 1.48 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.108 1.363 . . . . 73.32 112.936 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.76 9.55 37.37 Favored Glycine 0 C--N 1.344 1.001 0 O-C-N 122.294 -0.254 . . . . 73.13 112.702 -171.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -100.67 154.25 18.75 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.442 1.097 . . . . 71.53 108.668 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 22' ' ' PHE . 9.5 tp -113.69 133.28 60.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 109.418 -0.586 . . . . 55.41 109.418 175.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -127.6 141.72 51.56 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.538 1.135 . . . . 73.03 109.058 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.7 tp -101.42 100.27 10.72 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.812 -0.81 . . . . 74.21 108.812 171.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -86.86 107.01 18.14 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 123.48 0.712 . . . . 71.02 110.422 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 43.0 t -72.76 107.86 3.73 Favored 'Isoleucine or valine' 0 C--O 1.242 0.696 0 CA-C-N 115.136 -0.938 . . . . 61.23 108.781 171.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -66.64 153.71 42.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.852 0.861 . . . . 72.12 110.706 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.0 p90 -79.78 -4.65 52.95 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.05 0.94 . . . . 72.21 111.798 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -88.9 133.95 34.12 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.637 0.775 . . . . 61.42 109.095 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HD1' ' HB2' ' A' ' 39' ' ' GLU . 10.8 p90 -133.42 157.6 45.15 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.14 0.976 . . . . 74.4 110.022 -174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.1 -19.19 65.87 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.4 0.68 . . . . 75.02 112.115 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' HD1' ' A' ' 37' ' ' TYR . 53.2 mp0 -73.66 -16.6 61.21 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 123.292 0.637 . . . . 44.13 110.867 178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -70.02 137.0 50.96 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.604 0.761 . . . . 53.31 110.005 168.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.65 85.03 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.892 0.877 . . . . 61.11 111.484 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -97.6 40.67 1.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.033 0.933 . . . . 75.52 111.678 -175.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -81.63 129.76 64.24 Favored Pre-proline 0 CA--C 1.565 1.52 0 N-CA-C 109.965 -0.383 . . . . 71.33 109.965 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.83 -6.98 20.36 Favored 'Trans proline' 0 C--N 1.391 2.78 0 C-N-CA 123.445 2.763 . . . . 70.24 114.696 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.6 mtm -121.94 144.05 49.1 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.388 0.675 . . . . 73.41 109.928 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -77.07 175.68 9.39 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 116.038 -0.528 . . . . 74.44 109.934 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -58.9 -47.06 86.31 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.757 0.823 . . . . 64.22 112.315 -172.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.9 m -71.44 -46.41 60.13 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.022 0.529 . . . . 75.03 110.828 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -60.41 -39.43 87.34 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.826 0.85 . . . . 71.23 111.252 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.523 1.139 . . . . 64.04 110.478 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' OE1' ' HD2' ' A' ' 7' ' ' ARG . 54.9 tp60 -72.91 -37.72 67.13 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 122.773 0.429 . . . . 72.4 110.929 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.5 -32.39 73.73 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.717 0.807 . . . . 74.42 109.948 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -65.75 -46.71 77.82 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 124.237 1.015 . . . . 72.42 109.746 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 7' ' ' ARG . 95.2 mt -59.83 -42.72 94.17 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 123.681 0.613 . . . . 73.22 111.081 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -74.82 -27.22 60.2 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 124.05 0.844 . . . . 73.44 110.604 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.7 t -72.38 -41.75 65.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.177 0.591 . . . . 43.23 110.083 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.45 -46.6 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.108 0.963 . . . . 73.05 110.085 173.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.17 -28.85 69.09 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.432 1.093 . . . . 61.42 111.511 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -62.01 -44.17 97.28 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.891 0.876 . . . . 65.24 109.879 174.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -70.02 -39.29 75.9 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.461 0.704 . . . . 71.02 111.22 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.68 -36.56 76.72 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.76 0.424 . . . . 62.44 110.416 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -72.9 -45.07 60.24 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.989 0.916 . . . . 72.41 110.738 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.54 95.7 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.064 0.945 . . . . 74.1 111.774 -175.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -89.21 -22.25 22.86 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.95 0.9 . . . . 73.52 111.475 -174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.87 12.22 69.03 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 116.631 -0.259 . . . . 64.12 112.609 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.21 -1.45 89.52 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-O 120.137 -0.257 . . . . 72.05 113.043 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.99 -43.02 88.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.762 0.825 . . . . 70.42 111.824 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.7 t -59.99 -40.14 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 O-C-N 124.152 0.907 . . . . 63.51 109.283 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.515 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.3 mm-40 -63.48 -36.32 83.37 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.848 0.859 . . . . 63.34 111.3 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.08 -46.16 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 C-N-CA 123.672 0.789 . . . . 64.33 110.513 175.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.63 -18.59 62.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.829 0.851 . . . . 72.01 112.312 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.9 m -90.12 -41.09 11.85 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.315 0.646 . . . . 75.21 109.826 175.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -68.32 -62.17 1.51 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 122.877 0.471 . . . . 60.45 110.521 -174.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 37.5 mt -58.53 -46.21 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 123.986 0.803 . . . . 71.0 111.625 -173.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -62.06 -40.48 95.91 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 123.435 0.459 . . . . 55.41 111.516 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -83.3 -36.88 24.12 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.235 0.457 . . . . 73.04 112.235 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.6 t -72.95 155.66 39.64 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.577 0.351 . . . . 62.54 111.04 -172.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -105.86 4.2 29.45 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.505 0.722 . . . . 73.22 110.447 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -62.63 140.36 58.68 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.631 0.772 . . . . 72.44 111.38 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.543 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 42.8 mtt180 -119.46 137.92 25.95 Favored Pre-proline 0 C--O 1.243 0.729 0 C-N-CA 124.333 1.053 . . . . 74.44 108.753 167.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 33.2 Cg_endo -66.49 120.34 7.46 Favored 'Trans proline' 0 C--N 1.375 1.962 0 C-N-CA 121.916 1.744 . . . . 64.42 110.347 174.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -125.11 156.57 38.1 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.572 1.549 . . . . 74.11 109.14 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 60.5 tp -56.33 99.48 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.844 0.858 . . . . 73.0 110.888 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.72 -26.88 11.06 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 115.418 -0.81 . . . . 62.14 113.309 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -112.65 103.23 11.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 108.671 -0.863 . . . . 71.22 108.671 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.38 145.52 24.88 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.198 -0.667 . . . . 60.25 109.198 172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.527 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 73.6 t -79.9 87.7 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.775 -1.194 . . . . 60.21 107.775 174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 26.6 t -85.35 87.28 7.37 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 115.122 -0.945 . . . . 63.23 108.886 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.8 mt -67.18 114.33 18.0 Favored Pre-proline 0 CA--C 1.544 0.741 0 CA-C-N 114.756 -1.111 . . . . 60.24 110.468 -176.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.61 113.22 2.87 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 121.914 1.743 . . . . 72.1 110.529 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.596 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.0 mt -91.69 90.81 7.71 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 108.218 -1.03 . . . . 71.54 108.218 176.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.515 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 7.1 t70 -69.66 123.34 21.11 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.536 -1.211 . . . . 62.12 108.028 175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.566 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 64.1 mt -117.58 24.37 11.13 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 108.778 -0.823 . . . . 61.4 108.778 173.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.03 -67.49 1.95 Allowed Glycine 0 C--N 1.352 1.432 0 N-CA-C 110.935 -0.866 . . . . 63.3 110.935 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.59 -28.82 51.74 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.004 0.521 . . . . 72.43 110.551 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 30.4 mmt180 -74.15 -34.89 63.98 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.546 0.738 . . . . 62.33 112.228 -169.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.05 -37.68 13.27 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.612 0.365 . . . . 64.05 111.384 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB3' HD11 ' A' ' 103' ' ' LEU . 67.5 m -62.51 -10.49 12.04 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.916 1.08 . . . . 65.21 113.916 -172.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -62.08 -47.59 83.99 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 123.406 0.682 . . . . 72.22 111.064 171.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -86.05 -15.87 39.96 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 117.876 0.307 . . . . 75.41 111.3 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.8 -31.58 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 109.094 -0.706 . . . . 72.25 109.094 167.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.9 mm 70.09 84.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.87 0 C-N-CA 124.606 1.162 . . . . 61.55 109.761 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.419 HD11 ' HB3' ' A' ' 98' ' ' SER . 78.0 mt -79.96 112.42 17.24 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.35 -0.841 . . . . 64.52 109.176 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 . . . . . 0 C--O 1.248 1.006 0 C-N-CA 123.275 0.63 . . . . 75.53 109.518 -178.05 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.521 ' SD ' HD13 ' A' ' 6' ' ' LEU . 48.6 ttm . . . . . 0 CA--C 1.54 0.56 0 N-CA-C 110.652 -0.129 . . . . 73.22 110.652 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.9 p -89.58 169.7 11.12 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 123.717 0.807 . . . . 74.1 109.23 167.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.05 61.92 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-O 121.036 0.242 . . . . 73.12 112.792 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 45.0 tt0 -65.82 -56.59 11.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.397 1.079 . . . . 64.12 110.223 172.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.33 -38.6 74.32 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.294 0.638 . . . . 65.11 112.454 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.778 HD21 HG21 ' A' ' 20' ' ' VAL . 37.2 tp -59.99 -54.24 48.38 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.922 0.764 . . . . 73.34 111.029 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.667 ' HB3' HD13 ' A' ' 54' ' ' LEU . 5.6 ptm180 -67.42 -39.57 85.47 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 123.41 0.444 . . . . 74.24 111.434 -177.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -67.53 -30.57 70.26 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.146 0.578 . . . . 73.24 110.586 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.5 tp -64.28 -36.93 85.71 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.821 0.848 . . . . 73.51 110.327 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 22.6 mt -76.6 -35.9 57.83 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.713 0.805 . . . . 72.34 110.169 178.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.4 mt -73.8 -33.0 64.01 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.264 1.026 . . . . 53.41 111.769 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -77.83 -45.09 25.36 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 121.111 0.481 . . . . 54.41 109.978 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -71.48 -56.91 5.01 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.266 -0.879 . . . . 74.22 111.35 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -112.86 -11.83 13.39 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.805 0.668 . . . . 73.41 112.805 -169.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.66 6.73 85.24 Favored Glycine 0 N--CA 1.477 1.392 0 N-CA-C 114.249 0.46 . . . . 70.31 114.249 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.6 m-85 -137.82 146.28 43.31 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 108.64 -0.874 . . . . 75.53 108.64 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -86.6 94.63 9.52 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 107.123 -1.436 . . . . 42.11 107.123 173.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 81.5 m-85 -83.31 156.77 22.89 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.069 0.948 . . . . 55.21 111.401 -178.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.23 145.84 41.63 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.76 -0.83 . . . . 72.53 108.76 174.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.778 HG21 HD21 ' A' ' 6' ' ' LEU . 4.6 m -121.29 126.36 74.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.071 -1.085 . . . . 74.2 108.071 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -128.62 134.04 48.46 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.045 0.538 . . . . 63.34 110.109 -173.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' HB3' HD11 ' A' ' 29' ' ' ILE . 67.3 m-85 -75.68 135.41 40.41 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 123.464 0.706 . . . . 64.53 110.239 174.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -138.07 109.42 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.037 0.935 . . . . 75.03 108.597 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -97.03 112.15 24.04 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.387 0.675 . . . . 73.2 109.548 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.6 t -136.02 139.28 42.99 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.223 0.609 . . . . 72.22 109.359 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 65.63 21.71 11.67 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 125.289 1.436 . . . . 60.23 112.073 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.17 -10.34 74.45 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.886 -0.597 . . . . 73.41 112.661 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -102.74 156.11 17.86 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.226 1.01 . . . . 73.0 110.577 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.3 tp -101.23 134.79 40.33 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 C-N-CA 123.383 0.673 . . . . 74.41 110.066 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -128.36 138.07 52.19 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.096 1.358 . . . . 74.32 108.166 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD11 ' HB ' ' A' ' 20' ' ' VAL . 40.4 tp -99.78 101.6 12.79 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 109.25 -0.648 . . . . 62.2 109.25 174.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -90.85 111.7 23.21 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 110.242 -0.281 . . . . 74.34 110.242 179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 62.6 t -70.31 109.31 2.75 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 CA-C-N 115.547 -0.751 . . . . 74.54 109.193 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.7 mmt -67.01 156.47 35.94 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.986 0.914 . . . . 65.34 110.736 177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -80.8 -2.67 48.09 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.448 1.099 . . . . 74.23 111.5 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HA ' ' NE2' ' A' ' 40' ' ' GLN . 94.0 mttt -90.9 117.59 29.62 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.696 0.798 . . . . 72.22 109.737 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 164.7 12.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.252 1.021 . . . . 63.24 110.37 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -67.86 -12.07 59.89 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 123.75 0.82 . . . . 73.55 111.725 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.75 -36.12 71.66 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.612 0.765 . . . . 74.21 110.67 173.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 36' ' ' LYS . 79.6 mt-30 -63.9 122.93 17.67 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 123.865 0.866 . . . . 72.14 110.246 178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.75 -27.45 63.95 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.632 0.773 . . . . 73.22 110.982 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 m -90.86 12.67 18.69 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.785 0.834 . . . . 61.24 111.58 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -58.78 131.54 86.19 Favored Pre-proline 0 CA--C 1.555 1.166 0 C-N-CA 123.754 0.822 . . . . 70.32 109.816 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -60.19 -27.07 84.12 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 123.232 2.622 . . . . 73.32 113.552 -169.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 58.6 mtm -108.43 152.06 25.2 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.858 0.863 . . . . 73.05 109.853 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.467 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 41.1 m-80 -77.05 179.91 5.96 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.749 0.42 . . . . 63.54 109.926 173.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.84 -42.74 99.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.547 0.739 . . . . 74.13 111.69 -176.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 8.5 m -76.86 -43.74 34.93 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 116.551 -0.295 . . . . 71.01 110.578 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 21.6 mm-40 -59.07 -38.36 79.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.816 0.847 . . . . 75.11 111.195 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -67.51 -40.65 85.13 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.453 -1.248 . . . . 64.24 110.991 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.442 HE22 ' HD2' ' A' ' 7' ' ' ARG . 58.1 tp60 -66.72 -36.48 82.57 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.574 0.226 . . . . 73.21 110.817 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 48' ' ' THR . 20.8 mm-40 -68.52 -33.51 74.26 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 115.969 -0.559 . . . . 73.01 110.344 175.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -63.12 -41.43 99.34 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.775 0.83 . . . . 75.32 110.33 174.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 7' ' ' ARG . 96.8 mt -65.64 -46.17 80.23 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.342 0.657 . . . . 73.32 111.225 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -67.91 -31.4 71.15 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.047 -0.524 . . . . 70.32 110.714 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -64.74 -44.16 91.03 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.558 0.743 . . . . 73.21 110.837 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -70.11 -48.43 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 CA-C-N 115.643 -0.708 . . . . 72.35 110.76 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.46 -34.01 74.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.696 0.798 . . . . 62.24 111.827 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.69 -43.32 99.1 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.132 0.973 . . . . 71.14 110.342 173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -37.39 78.1 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.073 0.949 . . . . 72.23 110.588 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.17 -36.02 82.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.464 0.706 . . . . 74.23 110.149 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -65.63 -42.07 91.92 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.98 0.912 . . . . 74.53 110.208 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.72 -29.81 69.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.709 0.804 . . . . 62.04 112.052 -177.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 29' ' ' ILE . 96.0 mt -94.37 -22.51 18.27 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.816 0.847 . . . . 64.23 111.524 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.02 6.24 86.84 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 123.129 0.268 . . . . 71.42 112.696 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.79 -0.93 89.99 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-O 119.553 -0.582 . . . . 41.34 113.065 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.95 79.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.731 0.812 . . . . 42.1 111.217 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.62 -38.04 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 124.118 0.886 . . . . 61.51 110.094 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -64.96 -35.45 81.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.422 0.689 . . . . 64.15 111.715 -177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.497 HG13 HD13 ' A' ' 89' ' ' ILE . 94.3 t -72.56 -45.38 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.081 0.553 . . . . 75.14 110.194 175.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -62.03 -33.91 75.25 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.955 0.902 . . . . 74.52 111.663 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.6 m -82.08 -48.55 11.24 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.512 0.725 . . . . 63.41 110.437 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -59.53 -50.11 75.19 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.486 0.714 . . . . 74.45 111.484 -175.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.419 ' HA ' HG22 ' A' ' 77' ' ' THR . 23.8 mt -60.83 -39.12 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.861 0.726 . . . . 75.03 111.208 -176.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.4 m -70.26 -34.97 73.47 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 122.767 0.427 . . . . 73.23 111.453 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -76.12 -37.74 57.69 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.079 0.552 . . . . 63.42 112.001 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 74' ' ' ILE . 6.6 t -82.38 155.51 24.67 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.037 0.446 . . . . 63.22 111.217 -168.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -102.7 -6.89 22.19 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.797 0.839 . . . . 73.5 110.0 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -61.06 134.31 56.94 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.496 0.718 . . . . 64.44 111.314 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -123.32 135.16 25.72 Favored Pre-proline 0 C--O 1.244 0.804 0 CA-C-N 115.116 -0.947 . . . . 70.51 109.004 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.05 114.56 3.94 Favored 'Trans proline' 0 C--N 1.374 1.884 0 C-N-CA 121.805 1.67 . . . . 44.01 110.205 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.96 169.42 8.85 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.861 1.264 . . . . 74.25 109.809 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.6 tp -64.12 97.53 0.18 Allowed 'General case' 0 CA--C 1.547 0.851 0 O-C-N 123.744 0.653 . . . . 64.22 109.78 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.59 -14.44 35.42 Favored Glycine 0 C--N 1.344 0.99 0 CA-C-N 115.655 -0.702 . . . . 25.42 113.229 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -122.78 109.53 14.33 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 109.052 -0.721 . . . . 71.05 109.052 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.63 153.58 20.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.737 0.815 . . . . 64.23 110.68 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.2 t -84.34 94.02 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 108.05 -1.093 . . . . 71.02 108.05 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.5 t -78.61 102.63 8.07 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 108.699 -0.852 . . . . 70.13 108.699 -179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.497 HD13 HG13 ' A' ' 70' ' ' VAL . 60.7 mt -86.18 112.84 48.58 Favored Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 123.754 0.822 . . . . 74.21 109.04 178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.96 113.97 3.83 Favored 'Trans proline' 0 C--N 1.369 1.611 0 C-N-CA 121.845 1.697 . . . . 73.2 110.638 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.1 mt -78.32 92.77 4.57 Favored 'General case' 0 C--O 1.24 0.557 0 N-CA-C 107.9 -1.148 . . . . 64.5 107.9 174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.6 94.28 0.41 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.33 -1.305 . . . . 75.21 109.614 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 82.1 mt -119.53 33.32 5.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.082 0.553 . . . . 62.33 110.601 -174.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.04 -82.62 0.13 Allowed Glycine 0 C--N 1.345 1.073 0 N-CA-C 111.683 -0.567 . . . . 73.42 111.683 175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -71.05 -27.31 63.56 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 123.819 0.848 . . . . 75.24 110.53 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.471 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 7.1 mmm180 -68.41 -40.83 81.12 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.174 0.59 . . . . 74.04 112.264 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 101' ' ' ILE . . . -77.34 -15.01 59.61 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 121.836 -0.54 . . . . 31.24 110.885 175.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.6 t -89.03 -8.42 54.05 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.719 0.808 . . . . 74.31 111.872 -177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -59.39 -56.25 24.39 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.615 0.766 . . . . 75.12 111.207 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -75.55 -8.45 56.78 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 115.679 -0.692 . . . . 73.52 112.429 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.436 HD13 ' O ' ' A' ' 97' ' ' ALA . 1.4 mp -65.56 -24.44 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.451 0.7 . . . . 52.11 110.532 172.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.8 mm 63.66 90.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.574 1.15 . . . . 75.14 109.414 -175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -80.34 126.55 31.31 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 114.886 -1.052 . . . . 71.15 110.14 -178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 C--O 1.251 1.141 0 C-N-CA 123.819 0.848 . . . . 62.41 109.406 177.417 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 ttp . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 109.455 -0.572 . . . . 73.25 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.5 p -75.75 167.91 21.01 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.763 0.425 . . . . 72.21 110.679 175.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.37 -22.4 69.34 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.274 0.359 . . . . 53.04 112.483 173.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -61.79 -54.99 34.85 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.875 0.87 . . . . 71.34 109.765 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -66.01 -35.75 81.39 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.421 0.689 . . . . 55.31 111.455 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.512 HD21 HG21 ' A' ' 20' ' ' VAL . 64.6 tp -63.15 -45.39 92.1 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.044 0.937 . . . . 72.53 109.88 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.549 ' HB2' HD13 ' A' ' 54' ' ' LEU . 69.3 ttt180 -66.78 -42.9 85.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.539 0.736 . . . . 73.25 110.669 177.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -65.01 -26.8 68.43 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.532 0.733 . . . . 74.51 111.272 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 71' ' ' LYS . 50.4 tp -68.02 -37.55 81.53 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.745 0.818 . . . . 64.11 110.172 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.0 mt -74.92 -34.9 62.2 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.685 0.794 . . . . 72.31 109.935 178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.428 HD21 ' OG ' ' A' ' 17' ' ' SER . 97.0 mt -73.72 -30.72 63.0 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.216 1.007 . . . . 62.43 110.868 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -76.26 -47.72 22.83 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.378 0.671 . . . . 74.24 109.881 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -75.86 -62.26 1.65 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.317 -0.856 . . . . 72.12 112.068 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -106.15 -13.31 15.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.694 0.398 . . . . 75.24 111.757 -172.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 11' ' ' LEU . . . 82.42 13.8 77.75 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 115.024 0.77 . . . . 62.04 115.024 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 91.4 m-85 -138.0 150.65 47.17 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.149 0.58 . . . . 71.14 110.536 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.428 ' OG ' HD21 ' A' ' 11' ' ' LEU . 18.0 m -85.82 71.59 10.64 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.516 -0.765 . . . . 71.31 109.74 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 94.3 m-85 -70.25 146.43 50.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.048 0.539 . . . . 63.31 111.264 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -75.91 137.16 40.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 108.753 -0.832 . . . . 53.45 108.753 173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 33' ' ' VAL . 6.1 m -113.92 124.18 70.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 108.952 -0.759 . . . . 72.52 108.952 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -117.39 129.4 55.83 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.555 0.742 . . . . 63.53 110.76 -170.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.511 ' HB3' HD11 ' A' ' 29' ' ' ILE . 29.6 m-85 -74.62 129.03 36.99 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 122.549 0.34 . . . . 71.41 110.246 167.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -134.52 118.22 17.07 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.291 -1.003 . . . . 53.23 108.291 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -99.05 113.22 25.31 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.279 0.631 . . . . 73.52 110.727 -173.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -139.12 139.9 37.78 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.278 -0.638 . . . . 60.04 109.278 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 70.35 17.65 6.93 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 125.441 1.496 . . . . 70.14 112.106 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.19 -3.13 85.61 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.534 -0.303 . . . . 43.51 112.495 -172.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -101.46 165.78 11.07 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 124.365 1.066 . . . . 71.0 109.717 -174.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 22' ' ' PHE . 8.8 tp -120.05 130.43 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 121.31 0.576 . . . . 51.35 110.321 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -129.02 125.23 36.88 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.681 1.193 . . . . 72.53 109.254 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.34 97.35 11.05 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 109.57 -0.53 . . . . 61.05 109.57 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -85.43 107.02 17.21 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 123.914 0.886 . . . . 72.22 110.194 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 20' ' ' VAL . 26.5 t -72.67 106.49 2.86 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 N-CA-C 109.079 -0.711 . . . . 74.14 109.079 174.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.6 mmt -63.28 147.31 51.4 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.205 1.002 . . . . 64.21 111.618 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.547 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 30.9 p90 -73.19 -12.78 61.0 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.351 1.061 . . . . 73.31 111.937 176.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -86.21 123.24 31.26 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 109.333 -0.617 . . . . 60.35 109.333 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -118.15 161.31 20.08 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.568 1.147 . . . . 74.31 109.949 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD11 ' HA ' ' A' ' 47' ' ' GLU . 33.2 tp -68.42 -21.38 64.67 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.368 0.667 . . . . 71.05 112.097 -169.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 mp0 -68.32 -10.33 54.05 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 123.527 0.731 . . . . 73.2 110.928 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -90.9 137.08 32.63 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.725 0.81 . . . . 63.21 111.554 175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.4 -20.31 59.0 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.804 0.842 . . . . 72.25 110.944 172.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -75.67 -5.29 44.81 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.22 1.008 . . . . 65.11 111.845 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -65.71 120.15 66.29 Favored Pre-proline 0 CA--C 1.557 1.232 0 C-N-CA 123.762 0.825 . . . . 75.13 109.281 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.53 -3.91 14.33 Favored 'Trans proline' 0 C--N 1.384 2.443 0 C-N-CA 123.053 2.502 . . . . 74.51 113.495 -171.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 42.3 mtp -114.47 155.02 27.15 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.462 1.105 . . . . 42.11 109.151 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.568 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 83.8 m-20 -80.32 172.71 13.41 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.792 -0.64 . . . . 60.3 109.545 172.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' HA ' HD11 ' A' ' 38' ' ' LEU . 40.1 mt-10 -67.74 -34.34 76.63 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.497 0.719 . . . . 55.01 111.512 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 32.9 m -70.0 -45.2 67.76 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.409 0.683 . . . . 72.3 110.051 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 9.5 mm-40 -58.06 -42.57 85.77 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.551 0.74 . . . . 64.1 110.374 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -66.23 -43.17 87.37 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.67 -1.15 . . . . 70.11 111.415 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.521 ' HA ' HD12 ' A' ' 54' ' ' LEU . 56.2 tp60 -67.02 -35.22 79.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.285 0.634 . . . . 73.11 111.159 -175.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.0 mm-40 -74.23 -36.32 63.9 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 116.194 -0.457 . . . . 42.13 110.153 175.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -59.95 -40.9 90.58 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.963 0.905 . . . . 74.45 110.592 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 7' ' ' ARG . 70.3 mt -58.41 -51.45 69.78 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.016 0.927 . . . . 74.14 111.418 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -76.04 -22.97 55.13 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.363 -0.835 . . . . 71.45 110.78 -173.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -69.64 -47.03 64.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.687 0.795 . . . . 73.12 109.559 171.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.415 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 40.5 t -62.44 -49.22 84.77 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 115.608 -0.723 . . . . 63.24 110.398 178.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.49 67.38 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.885 0.874 . . . . 52.34 112.147 -177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -65.62 -48.71 71.31 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.011 0.925 . . . . 71.42 110.078 172.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -70.48 -32.83 70.5 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.899 -0.591 . . . . 74.44 111.78 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' ALA . 76.6 mt -59.6 -41.61 90.7 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.984 0.421 . . . . 74.02 109.946 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -70.02 -46.56 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.198 0.599 . . . . 73.4 110.814 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.64 77.85 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.991 0.916 . . . . 63.13 112.43 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.4 mt -93.03 -22.09 19.35 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.831 0.853 . . . . 71.22 110.905 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.49 4.36 62.37 Favored Glycine 0 N--CA 1.478 1.498 0 O-C-N 123.36 0.413 . . . . 42.33 112.936 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -85.14 5.77 81.81 Favored Glycine 0 C--N 1.347 1.168 0 CA-C-O 118.96 -0.911 . . . . 75.43 114.231 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.79 -46.47 81.93 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 118.199 0.999 . . . . 61.31 111.221 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.26 -36.38 76.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.58 0 CA-C-N 114.956 -1.02 . . . . 55.03 109.638 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -61.6 -39.54 91.57 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.379 0.672 . . . . 54.05 111.52 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 89' ' ' ILE . 59.0 t -65.06 -52.5 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.629 0.771 . . . . 72.44 110.486 176.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 9' ' ' LEU . 46.7 mtpt -60.54 -39.66 88.68 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 114.69 -1.141 . . . . 74.12 111.359 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.0 m -66.4 -50.93 61.79 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.216 0.606 . . . . 72.2 110.018 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -58.08 -51.4 69.84 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.892 0.745 . . . . 72.4 111.149 -177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.7 -41.02 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.904 0.882 . . . . 61.1 111.016 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.0 m -72.9 -23.78 60.76 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 123.341 0.656 . . . . 74.14 111.844 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -80.46 -52.06 8.09 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.857 0.463 . . . . 71.2 110.499 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 t -72.67 177.92 4.45 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.692 0.797 . . . . 60.31 111.407 -174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -132.04 -2.47 3.61 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.694 0.798 . . . . 71.24 109.592 169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -66.65 126.85 30.26 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.954 0.784 . . . . 71.24 110.819 -169.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -94.67 141.21 23.09 Favored Pre-proline 0 C--O 1.243 0.733 0 O-C-N 124.738 1.274 . . . . 72.12 109.575 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 22.1 Cg_exo -63.85 119.82 7.0 Favored 'Trans proline' 0 C--N 1.364 1.365 0 C-N-CA 122.195 1.93 . . . . 75.4 110.119 171.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.503 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 41.1 ttm180 -126.14 156.64 39.78 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.216 1.407 . . . . 73.25 108.353 -171.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 tp -59.99 106.52 0.51 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.567 0.347 . . . . 62.5 110.546 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 105.56 -24.1 28.18 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-N 115.685 -0.689 . . . . 63.05 112.51 -177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 8.5 tmtm? -110.4 104.25 12.99 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.377 1.071 . . . . 53.14 109.517 -177.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.9 144.04 26.79 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 109.225 -0.658 . . . . 74.1 109.225 170.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.529 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.9 t -84.21 88.44 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 107.907 -1.145 . . . . 63.43 107.907 173.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -80.2 100.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.25 -0.887 . . . . 51.42 109.561 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.574 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -81.65 111.78 28.75 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.53 1.132 . . . . 74.11 109.398 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.83 114.12 3.95 Favored 'Trans proline' 0 C--N 1.369 1.615 0 C-N-CA 121.75 1.633 . . . . 72.35 111.012 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.5 mt -81.77 92.73 6.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.888 -1.153 . . . . 64.01 107.888 174.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.35 98.84 0.87 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.401 -0.818 . . . . 64.3 109.066 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 78.9 mt -121.98 85.6 2.44 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.46 -0.791 . . . . 70.31 109.359 -178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -119.65 -70.62 0.33 Allowed Glycine 0 C--N 1.335 0.527 0 N-CA-C 110.247 -1.141 . . . . 62.23 110.247 170.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -77.39 -35.94 53.92 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.658 0.783 . . . . 73.35 110.308 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -77.77 -12.4 59.97 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.565 0.746 . . . . 64.22 111.646 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . . . -78.22 -15.64 58.6 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.468 0.307 . . . . 54.4 110.963 172.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.0 t -93.12 -13.72 28.15 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.008 0.923 . . . . 72.13 112.235 -176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.26 -35.25 79.72 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 123.213 0.605 . . . . 74.32 112.115 -171.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -93.74 -5.03 49.31 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.445 0.698 . . . . 74.24 111.412 -174.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.0 mp -85.26 105.8 14.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 N-CA-C 107.712 -1.218 . . . . 74.05 107.712 168.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.9 mm -106.6 74.23 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-O 121.904 0.859 . . . . 61.13 108.821 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.8 mt -111.36 82.83 1.67 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.207 -0.906 . . . . 30.12 108.765 175.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.256 1.404 0 CA-C-N 114.985 -1.007 . . . . 75.01 110.061 -179.255 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' HD12 ' A' ' 61' ' ' LEU . 61.9 tpp . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.217 -0.29 . . . . 75.32 110.217 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' A' ' 5' ' ' GLU . 41.2 p -103.29 168.85 8.91 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 107.894 -1.15 . . . . 75.25 107.894 166.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -28.57 68.53 Favored Glycine 0 C--N 1.348 1.24 0 N-CA-C 111.927 -0.469 . . . . 72.44 111.927 174.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -71.01 -47.1 60.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.443 1.097 . . . . 73.11 110.288 176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' A' ' 2' ' ' THR . 24.9 mm-40 -62.66 -36.17 81.98 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.793 0.437 . . . . 73.31 111.221 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 20' ' ' VAL . 40.6 tp -61.37 -50.55 72.42 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.162 -0.926 . . . . 54.05 110.405 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' ' 54' ' ' LEU . 8.0 ptm180 -70.11 -35.21 73.97 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.373 0.421 . . . . 70.43 111.61 -177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -67.28 -34.06 76.62 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.011 0.524 . . . . 64.23 110.876 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 71' ' ' LYS . 65.8 tp -60.25 -40.33 89.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.663 0.785 . . . . 72.24 110.418 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 19.2 mt -75.63 -32.41 60.25 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 123.847 0.859 . . . . 74.42 110.219 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.41 -27.24 46.63 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.159 0.984 . . . . 65.41 112.112 -177.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -87.12 -43.88 11.94 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.032 0.533 . . . . 70.53 109.907 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -80.21 -44.92 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.648 -0.251 . . . . 72.53 111.225 -173.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -114.61 -10.58 12.48 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.67 0.618 . . . . 75.35 112.67 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.75 5.1 89.54 Favored Glycine 0 N--CA 1.474 1.203 0 N-CA-C 114.572 0.589 . . . . 64.32 114.572 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -141.19 147.54 38.52 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.158 0.983 . . . . 74.42 109.395 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.0 t -92.62 86.16 5.5 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 108.415 -0.958 . . . . 62.22 108.415 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -81.53 156.96 24.99 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.819 0.848 . . . . 73.52 112.307 -175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -78.51 164.6 24.58 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 108.568 -0.901 . . . . 70.54 108.568 171.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 6' ' ' LEU . 5.9 m -139.84 130.66 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 123.677 0.791 . . . . 62.24 110.174 -175.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -110.84 129.08 55.96 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.065 0.946 . . . . 75.25 110.719 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -79.7 102.71 9.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.953 -0.758 . . . . 74.4 108.953 167.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -111.55 112.69 24.58 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.254 -0.647 . . . . 73.34 109.254 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -106.4 128.72 54.25 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.379 0.672 . . . . 75.31 109.765 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 t -136.5 132.08 34.82 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 124.339 1.055 . . . . 75.41 108.831 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 64.84 18.04 11.28 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.807 1.243 . . . . 65.44 112.339 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.39 -4.58 77.03 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 116.26 -0.427 . . . . 61.12 113.138 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -101.32 141.16 34.61 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 55.51 109.302 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' ' 91' ' ' LEU . 10.5 tp -103.26 136.71 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-O 121.483 0.659 . . . . 72.14 110.549 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -131.96 125.21 31.05 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.605 1.162 . . . . 75.11 108.218 178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.8 tp -88.91 96.12 10.58 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.302 -0.999 . . . . 71.52 108.302 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -86.64 102.05 13.82 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.492 0.717 . . . . 71.44 110.027 -177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.446 HG22 HG12 ' A' ' 20' ' ' VAL . 41.8 t -64.49 117.8 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 115.427 -0.806 . . . . 74.43 110.117 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 20.2 mmt -70.17 150.45 46.48 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.522 1.129 . . . . 70.01 111.039 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 32.5 p90 -77.16 -17.58 58.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.675 0.79 . . . . 74.15 111.737 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.29 119.08 22.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 122.994 0.517 . . . . 75.51 109.921 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -113.02 157.73 21.17 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.221 1.009 . . . . 74.34 110.163 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 47' ' ' GLU . 58.2 tp -59.68 -31.5 69.62 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.924 0.89 . . . . 65.05 112.33 -173.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.41 -17.54 64.76 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.662 0.785 . . . . 64.31 111.3 -173.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.01 132.13 50.96 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.067 0.547 . . . . 75.3 109.814 172.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.57 -20.03 60.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.401 0.68 . . . . 55.34 110.608 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -101.06 18.49 19.62 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.776 0.83 . . . . 74.51 110.91 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.82 121.19 83.83 Favored Pre-proline 0 CA--C 1.553 1.096 0 N-CA-C 108.547 -0.908 . . . . 64.42 108.547 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.88 -19.38 58.55 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.835 2.356 . . . . 61.3 114.107 -168.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 54.0 mtm -106.56 151.5 24.93 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.247 0.619 . . . . 73.5 110.424 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -74.06 167.34 21.72 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.689 0.796 . . . . 75.04 110.703 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HA ' HD11 ' A' ' 38' ' ' LEU . 42.7 mt-10 -61.6 -42.36 98.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.953 0.901 . . . . 61.15 111.384 -178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.495 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 51.8 m -65.27 -54.69 25.45 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 123.886 0.742 . . . . 74.32 110.38 176.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -57.16 -42.39 80.96 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.167 0.987 . . . . 71.24 111.663 -174.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -60.98 -44.55 97.2 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.111 -0.95 . . . . 65.3 110.725 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -68.58 -29.59 68.16 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 122.741 0.416 . . . . 62.33 110.882 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.9 mm-40 -74.66 -29.2 61.15 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.183 0.593 . . . . 74.13 110.442 175.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -64.23 -44.85 90.59 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.898 -0.779 . . . . 73.45 108.898 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 7' ' ' ARG . 83.5 mt -64.38 -37.85 88.95 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.468 -0.787 . . . . 61.12 111.034 178.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -64.16 -45.37 88.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.996 0.919 . . . . 73.21 110.238 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 t -60.74 -49.85 75.85 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.466 0.706 . . . . 72.31 110.185 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.514 HG21 HG23 ' A' ' 20' ' ' VAL . 63.5 t -58.96 -42.9 87.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 C-N-CA 123.95 0.9 . . . . 74.22 110.618 177.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.55 77.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.016 0.926 . . . . 74.03 111.734 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -74.52 -28.67 61.07 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 124.094 0.871 . . . . 61.32 110.458 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.78 -36.05 62.54 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.948 0.499 . . . . 71.42 110.532 171.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.496 HD12 ' HG2' ' A' ' 1' ' ' MET . 76.1 mt -67.97 -28.58 67.57 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 121.454 0.645 . . . . 73.51 109.745 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -71.45 -51.11 25.57 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.11 1.364 . . . . 74.02 110.682 170.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.97 84.82 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.67 0.788 . . . . 63.14 111.899 -171.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 70.0 mt -85.52 -25.2 26.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.876 -1.056 . . . . 72.31 111.139 -175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.77 31.98 28.21 Favored Glycine 0 C--N 1.347 1.14 0 N-CA-C 111.645 -0.582 . . . . 62.01 111.645 -173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -99.91 10.46 60.44 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 119.523 -0.598 . . . . 71.25 113.549 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -64.04 -60.58 3.06 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.543 0.737 . . . . 62.34 112.262 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.71 -30.64 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 124.112 0.965 . . . . 75.0 110.211 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -58.68 -44.69 90.32 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.712 0.805 . . . . 64.41 111.23 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.522 ' HA ' HG21 ' A' ' 89' ' ' ILE . 72.6 t -63.45 -50.06 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.965 0.906 . . . . 74.35 110.506 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 9' ' ' LEU . 47.2 mtpt -61.13 -46.28 91.2 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.191 0.932 . . . . 63.34 111.694 -174.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.541 HG22 ' NE2' ' A' ' 76' ' ' GLN . 38.9 m -66.44 -42.46 87.64 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 124.266 0.979 . . . . 61.2 110.177 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.403 ' CD2' HG12 ' A' ' 89' ' ' ILE . 87.4 t80 -64.67 -50.12 68.27 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.343 0.402 . . . . 61.33 110.92 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.46 ' HA ' HG22 ' A' ' 77' ' ' THR . 40.7 mt -62.84 -38.23 81.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.648 0.779 . . . . 72.51 111.186 -177.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.9 m -66.12 -33.25 75.35 Favored 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 123.297 0.639 . . . . 63.13 111.313 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.541 ' NE2' HG22 ' A' ' 72' ' ' THR . 48.1 mt-30 -83.49 -38.11 22.21 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.041 0.536 . . . . 74.22 112.318 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 74' ' ' ILE . 11.4 t -75.82 134.56 40.34 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.152 0.501 . . . . 71.44 110.066 -176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -104.02 12.28 34.33 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.508 0.723 . . . . 62.21 110.52 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -83.81 167.59 16.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.228 1.011 . . . . 72.3 109.989 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -131.43 153.89 81.74 Favored Pre-proline 0 N--CA 1.477 0.894 0 C-N-CA 123.543 0.737 . . . . 71.22 109.983 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.446 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 8.1 Cg_exo -71.27 120.04 6.7 Favored 'Trans proline' 0 C--N 1.377 2.047 0 C-N-CA 122.506 2.137 . . . . 71.44 109.928 168.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -131.73 163.12 28.87 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.125 0.97 . . . . 73.22 109.281 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.36 101.85 0.08 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.987 0.915 . . . . 53.41 112.007 -174.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 104.58 -28.31 15.47 Favored Glycine 0 C--N 1.347 1.158 0 CA-C-N 115.671 -0.695 . . . . 62.41 111.972 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -103.03 103.83 13.95 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.897 0.879 . . . . 63.42 110.57 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.61 18.82 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.005 0.522 . . . . 63.24 109.843 173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.1 95.46 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 108.719 -0.845 . . . . 73.5 108.719 174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.8 t -77.34 109.77 11.52 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 109.134 -0.691 . . . . 73.5 109.134 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 70' ' ' VAL . 66.3 mt -92.57 111.95 53.27 Favored Pre-proline 0 N--CA 1.468 0.467 0 C-N-CA 123.694 0.798 . . . . 54.31 109.708 178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.89 115.36 3.39 Favored 'Trans proline' 0 C--N 1.371 1.715 0 C-N-CA 122.082 1.855 . . . . 75.1 110.132 172.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HB2' HG23 ' A' ' 29' ' ' ILE . 74.3 mt -98.69 109.24 22.03 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 107.638 -1.245 . . . . 72.15 107.638 172.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.1 94.05 1.48 Allowed 'General case' 0 C--N 1.348 0.543 0 CA-C-O 121.334 0.588 . . . . 65.21 109.822 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.7 mt -107.09 35.88 2.88 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.957 -1.02 . . . . 52.02 108.418 166.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.1 -70.59 1.14 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 109.01 -1.636 . . . . 60.23 109.01 166.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -80.88 -41.73 22.63 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.331 0.652 . . . . 73.31 110.661 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -76.98 -10.35 59.3 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 112.4 0.519 . . . . 72.13 112.4 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.1 -26.26 27.03 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 122.785 0.434 . . . . 74.01 110.475 171.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.545 ' HA ' HD13 ' A' ' 101' ' ' ILE . 31.4 t -63.52 -9.54 13.56 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.033 0.753 . . . . 61.25 113.033 -174.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -57.63 -51.03 71.18 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.119 0.967 . . . . 74.42 111.175 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -78.51 -20.0 51.75 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 112.005 0.372 . . . . 73.52 112.005 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.545 HD13 ' HA ' ' A' ' 98' ' ' SER . 2.4 mp -66.3 99.23 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.076 0 N-CA-C 108.353 -0.981 . . . . 71.41 108.353 174.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.9 mm -120.9 -36.74 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.243 0.733 0 N-CA-C 107.171 -1.418 . . . . 62.12 107.171 170.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.0 mt 61.3 77.92 0.31 Allowed 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.866 1.266 . . . . 73.32 110.637 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 124.401 1.081 . . . . 73.01 111.045 -172.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 tpp . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.292 -0.262 . . . . 74.34 110.292 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.4 p -116.43 176.01 5.3 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.743 1.217 . . . . 72.41 108.26 169.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.77 -23.99 63.89 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 111.85 -0.5 . . . . 54.45 111.85 172.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -68.64 -59.25 3.26 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.56 1.144 . . . . 71.2 110.303 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -58.51 -43.96 89.31 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.567 0.747 . . . . 73.24 111.56 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 20' ' ' VAL . 52.1 tp -55.18 -50.51 69.16 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.901 1.28 . . . . 63.45 111.214 176.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.509 ' HB2' HD13 ' A' ' 54' ' ' LEU . 50.5 ttt180 -65.36 -40.93 94.18 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.88 0.738 . . . . 73.55 111.059 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -69.04 -20.78 64.12 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.591 -0.731 . . . . 72.23 110.884 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.4 tp -78.07 -34.76 50.15 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.286 0.634 . . . . 52.14 109.66 176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 23.2 mt -71.36 -36.74 71.58 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.642 0.777 . . . . 73.43 109.821 175.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.5 mt -80.61 -33.52 35.82 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.528 1.131 . . . . 52.23 111.943 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -69.41 -44.32 71.62 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 123.216 0.606 . . . . 72.23 110.102 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 tptt -77.77 -65.04 1.02 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.499 -0.773 . . . . 72.44 110.792 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.5 m-90 -98.63 -35.35 10.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.987 0.515 . . . . 75.44 112.03 -169.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.81 9.14 54.95 Favored Glycine 0 N--CA 1.473 1.157 0 N-CA-C 113.753 0.261 . . . . 40.43 113.753 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -131.81 142.47 49.74 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.328 0.651 . . . . 70.3 109.32 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.5 m -84.34 91.43 7.78 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 109.236 -0.653 . . . . 61.2 109.236 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -87.45 150.03 24.04 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.211 0.604 . . . . 64.2 111.45 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.07 135.84 49.68 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.104 -0.702 . . . . 54.35 109.104 171.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 6' ' ' LEU . 21.9 m -123.28 125.88 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 108.539 -0.911 . . . . 65.55 108.539 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -129.5 141.49 50.99 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.536 0.734 . . . . 71.41 110.374 -177.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.687 ' HB3' HD11 ' A' ' 29' ' ' ILE . 62.7 m-85 -75.24 152.82 38.27 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-N 115.395 -0.82 . . . . 71.4 111.465 175.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -148.33 118.79 7.39 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.5 -0.773 . . . . 52.31 109.13 -177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -98.63 104.3 16.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.041 0.536 . . . . 75.4 110.407 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.3 t -137.21 140.02 41.44 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.772 0.829 . . . . 54.41 109.398 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 64.93 24.81 12.72 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.52 1.128 . . . . 73.21 110.836 -173.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.25 7.75 57.74 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 116.168 -0.469 . . . . 75.24 113.59 -175.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -99.95 174.95 5.94 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.194 0.998 . . . . 51.15 108.796 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.7 tp -121.04 134.4 64.57 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 N-CA-C 108.565 -0.902 . . . . 70.5 108.565 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -126.75 147.36 49.99 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.47 1.108 . . . . 61.5 108.285 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 39.7 tp -109.7 98.25 7.64 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.742 -0.836 . . . . 74.12 108.742 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -86.42 107.39 18.02 Favored 'General case' 0 C--O 1.241 0.622 0 C-N-CA 122.864 0.466 . . . . 75.33 110.024 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 22.5 t -72.63 103.29 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.156 -0.929 . . . . 63.13 108.511 173.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.4 mmt -63.26 161.21 14.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.355 1.062 . . . . 51.35 112.02 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 14.6 p90 -77.7 7.31 5.89 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 124.782 1.233 . . . . 75.01 112.181 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -99.46 101.88 13.26 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 124.166 0.986 . . . . 52.33 109.815 -172.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -90.6 154.01 19.91 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.017 -0.734 . . . . 73.4 109.017 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 47' ' ' GLU . 49.4 tp -63.09 -17.92 62.82 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.507 0.723 . . . . 74.34 112.647 -174.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.66 -17.65 64.67 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.826 0.451 . . . . 72.11 111.922 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.3 136.21 49.6 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.04 0.536 . . . . 74.3 111.136 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.49 -16.47 54.23 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.761 0.824 . . . . 75.53 111.13 173.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 m -89.48 3.0 53.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.005 0.922 . . . . 71.13 111.626 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 27.9 t80 -62.35 128.24 90.97 Favored Pre-proline 0 CA--C 1.562 1.411 0 C-N-CA 123.705 0.802 . . . . 73.32 110.832 -174.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HB2' ' SD ' ' A' ' 45' ' ' MET . 34.7 Cg_exo -62.26 -32.13 82.18 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.107 2.538 . . . . 64.44 114.009 -171.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 44' ' ' PRO . 3.5 mpp? -99.97 161.31 13.69 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.446 0.698 . . . . 65.32 109.868 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -80.28 -174.16 4.41 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.157 0.583 . . . . 73.33 109.851 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HA ' HD11 ' A' ' 38' ' ' LEU . 42.3 mt-10 -62.89 -57.86 9.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.77 0.428 . . . . 61.45 110.766 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 67.7 m -65.19 -47.03 78.34 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.767 0.427 . . . . 71.51 110.199 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -53.7 -35.68 61.4 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 123.442 0.697 . . . . 72.42 112.586 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -59.9 -47.29 86.38 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.887 0.475 . . . . 72.45 110.804 174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -69.56 -30.93 68.83 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.942 0.497 . . . . 61.14 111.102 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 48' ' ' THR . 7.3 mm-40 -70.29 -33.6 71.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.938 0.495 . . . . 55.14 110.151 175.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -66.28 -43.05 87.48 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.028 0.931 . . . . 63.14 109.628 176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.509 HD13 ' HB2' ' A' ' 7' ' ' ARG . 96.8 mt -63.73 -40.08 95.86 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.496 0.719 . . . . 74.11 111.082 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -61.86 -41.39 97.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.449 1.1 . . . . 72.22 110.541 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.8 t -69.1 -39.97 78.66 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.217 -0.901 . . . . 52.1 111.292 178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 40.2 t -67.2 -45.83 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 123.681 0.792 . . . . 62.5 110.92 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.92 -27.21 68.69 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.924 0.89 . . . . 74.33 111.966 -177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -63.47 -42.21 98.58 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.047 0.842 . . . . 41.12 110.28 175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -71.33 -36.98 71.74 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.83 0.452 . . . . 73.0 111.01 174.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.42 -36.69 81.04 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.761 0.315 . . . . 72.11 110.452 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -71.25 -53.38 14.54 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.74 0.816 . . . . 74.12 110.723 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.62 97.08 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.925 0.89 . . . . 73.44 112.437 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.2 mt -81.74 -26.98 34.09 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.173 0.989 . . . . 73.32 111.721 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.59 12.96 71.25 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.959 -0.456 . . . . 61.34 111.959 -171.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.01 -3.9 88.44 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 119.86 -0.411 . . . . 51.31 113.169 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.52 -48.86 78.13 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.93 0.892 . . . . 74.33 111.635 177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -65.01 -35.03 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 114.713 -1.131 . . . . 55.11 110.587 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -62.8 -39.86 95.57 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.237 0.615 . . . . 72.31 110.813 177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' HA ' HG21 ' A' ' 89' ' ' ILE . 86.1 t -67.47 -47.48 80.5 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.915 0.886 . . . . 72.55 110.718 178.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -58.95 -49.5 77.62 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.363 1.039 . . . . 70.44 110.995 -178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.1 m -66.62 -44.52 81.83 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.096 0.872 . . . . 73.35 111.105 -178.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.3 t80 -66.31 -54.36 25.66 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.58 0.55 . . . . 74.34 111.11 -174.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.4 mt -58.05 -38.96 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 O-C-N 124.053 0.846 . . . . 73.33 111.384 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.3 m -65.74 -47.95 73.56 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.406 0.683 . . . . 75.22 111.695 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -74.05 -38.03 64.11 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.313 0.645 . . . . 72.32 112.552 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -70.02 162.86 27.34 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.788 0.435 . . . . 72.44 110.469 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -129.59 16.07 5.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.872 0.869 . . . . 73.32 109.808 175.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -89.09 137.63 32.14 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 123.539 0.736 . . . . 72.13 110.646 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.488 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 64.0 mtt85 -110.17 142.65 26.39 Favored Pre-proline 0 C--O 1.239 0.505 0 CA-C-N 114.421 -1.263 . . . . 65.11 109.528 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.42 118.05 4.9 Favored 'Trans proline' 0 C--N 1.37 1.673 0 C-N-CA 122.493 2.129 . . . . 40.24 110.821 174.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -128.69 155.99 44.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.414 1.086 . . . . 74.13 109.34 -170.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.2 tp -58.87 92.06 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.693 0.797 . . . . 74.52 112.055 -174.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 113.68 -18.81 19.55 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 115.856 -0.611 . . . . 61.11 112.915 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.41 103.27 8.82 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.647 0.779 . . . . 72.54 110.246 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.41 164.21 21.15 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.865 0.866 . . . . 60.22 110.768 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.456 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.9 t -92.69 89.76 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 N-CA-C 108.269 -1.011 . . . . 62.13 108.269 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -78.56 100.06 6.78 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 115.895 -0.593 . . . . 23.24 109.656 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.457 HG21 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -81.69 115.9 59.79 Favored Pre-proline 0 N--CA 1.47 0.573 0 C-N-CA 123.871 0.868 . . . . 71.41 109.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.79 113.67 3.84 Favored 'Trans proline' 0 C--N 1.369 1.64 0 C-N-CA 121.73 1.62 . . . . 71.23 110.548 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.554 ' HB2' HG23 ' A' ' 29' ' ' ILE . 49.3 mt -86.81 92.47 8.98 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 107.711 -1.218 . . . . 72.43 107.711 174.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.75 96.11 0.71 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.841 -1.072 . . . . 50.13 109.34 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.706 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 35.1 mt -114.56 31.31 6.72 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.613 -0.721 . . . . 74.14 111.175 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.32 -50.38 56.36 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 111.443 -0.663 . . . . 61.25 111.443 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.99 -25.59 17.92 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.878 0.871 . . . . 73.33 110.452 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.706 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 1.3 mmp_? -73.05 -8.58 56.39 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.265 0.626 . . . . 73.23 112.186 178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.09 -26.15 65.68 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.925 -0.485 . . . . 61.15 110.61 170.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 m -68.56 -14.07 62.76 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 112.952 0.723 . . . . 65.23 112.952 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 96' ' ' ARG . 15.7 mm-40 -58.64 -49.29 78.07 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 121.156 0.503 . . . . 74.54 110.712 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 13.3 p-90 -102.73 -3.81 25.94 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.43 -0.804 . . . . 74.31 112.175 -174.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -95.27 111.23 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 108.115 -1.069 . . . . 72.53 108.115 168.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 46.3 mm -129.61 108.24 16.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 107.609 -1.256 . . . . 74.05 107.609 172.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.13 156.9 25.63 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.302 1.041 . . . . 73.34 109.11 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.255 1.348 0 C-N-CA 123.374 0.67 . . . . 73.53 109.541 175.567 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttp . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.26 -0.645 . . . . 70.34 109.26 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.7 p -86.06 168.73 13.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.704 0.802 . . . . 62.15 110.753 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.18 -20.51 71.19 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 112.201 -0.36 . . . . 62.21 112.201 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.71 -54.22 14.82 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.123 0.969 . . . . 75.14 110.037 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.64 -40.4 91.84 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.513 0.725 . . . . 74.44 111.075 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.655 HD21 HG21 ' A' ' 20' ' ' VAL . 37.7 tp -62.83 -41.77 99.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.91 0.884 . . . . 64.54 110.494 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.464 ' HB2' HD13 ' A' ' 54' ' ' LEU . 55.5 ttt180 -65.79 -44.73 84.85 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.136 0.574 . . . . 71.44 110.298 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -68.15 -22.15 64.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.221 1.008 . . . . 75.45 111.696 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.7 tp -74.75 -43.35 55.39 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.726 0.81 . . . . 72.42 109.787 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 33.0 mt -71.82 -33.97 68.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.158 -0.928 . . . . 72.11 110.394 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.69 -45.86 41.66 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.677 0.791 . . . . 64.12 111.663 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -58.54 -41.84 86.47 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.044 0.449 . . . . 71.52 110.429 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -77.21 -65.95 0.89 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.213 -0.903 . . . . 64.41 111.532 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -105.3 -10.99 16.69 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.129 0.788 . . . . 64.23 113.129 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.01 4.43 89.99 Favored Glycine 0 N--CA 1.474 1.21 0 N-CA-C 113.603 0.201 . . . . 63.24 113.603 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -139.92 138.39 35.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.105 0.962 . . . . 61.23 109.11 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -87.79 104.69 16.81 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.428 0.691 . . . . 63.0 109.61 174.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -93.8 159.95 14.97 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.836 0.854 . . . . 70.35 111.876 -176.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.71 120.26 15.19 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.741 -0.663 . . . . 74.11 109.455 172.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.655 HG21 HD21 ' A' ' 6' ' ' LEU . 12.8 m -103.99 126.02 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 N-CA-C 108.092 -1.077 . . . . 72.13 108.092 174.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -137.53 138.23 39.43 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.966 0.412 . . . . 73.31 110.721 -173.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -72.74 136.6 45.54 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.348 -0.842 . . . . 75.13 110.224 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -143.82 116.35 8.62 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.473 -1.306 . . . . 75.35 107.473 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -107.21 146.69 31.09 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.137 0.575 . . . . 74.45 110.757 -175.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.1 t -144.79 122.16 11.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.804 0.842 . . . . 73.21 109.196 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 63.39 23.49 13.75 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.904 1.281 . . . . 60.13 112.857 170.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.17 -7.42 54.52 Favored Glycine 0 C--N 1.353 1.486 0 CA-C-O 120.204 -0.22 . . . . 73.42 113.463 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -100.28 146.83 26.45 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.737 0.815 . . . . 72.13 110.151 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.467 HG21 HD12 ' A' ' 93' ' ' LEU . 6.2 tp -112.55 133.97 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.472 0.709 . . . . 72.53 111.111 -177.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -131.46 120.78 23.48 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.268 1.427 . . . . 62.14 108.295 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 tp -89.72 101.88 14.57 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.01 -0.737 . . . . 72.13 109.01 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -87.34 114.8 24.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.166 0.587 . . . . 62.21 110.629 -176.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 20' ' ' VAL . 22.0 t -80.98 100.93 5.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.309 -0.997 . . . . 51.22 108.309 172.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.417 ' SD ' ' HB2' ' A' ' 86' ' ' ALA . 18.8 mmt -70.49 161.28 30.87 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.013 0.925 . . . . 70.23 112.658 -176.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -77.25 -3.33 39.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.832 1.253 . . . . 73.53 112.458 -177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.77 121.9 33.04 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.7 0.8 . . . . 75.25 109.222 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -120.92 160.01 24.36 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.357 1.063 . . . . 70.43 110.065 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 47' ' ' GLU . 41.5 tp -65.86 -23.73 66.72 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.679 0.792 . . . . 75.23 112.87 -172.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.93 -9.16 50.44 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 118.184 0.447 . . . . 72.42 111.518 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -86.83 136.53 32.94 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 122.773 0.429 . . . . 71.03 110.476 169.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.96 -22.84 58.32 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.399 -0.819 . . . . 74.22 110.023 172.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.4 p -80.83 8.74 7.53 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.124 0.969 . . . . 73.41 112.151 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -71.56 129.1 89.06 Favored Pre-proline 0 CA--C 1.559 1.29 0 C-N-CA 123.617 0.767 . . . . 61.31 109.713 176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.13 -2.41 12.27 Favored 'Trans proline' 0 C--N 1.378 2.102 0 C-N-CA 123.032 2.488 . . . . 64.32 113.915 -172.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 73.1 mtm -119.44 147.58 44.23 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 109.262 -0.644 . . . . 72.12 109.262 174.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -72.1 173.22 8.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.174 0.59 . . . . 71.24 109.902 173.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HA ' HD11 ' A' ' 38' ' ' LEU . 31.3 mt-10 -62.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.824 0.85 . . . . 55.2 111.281 -179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 59.8 m -72.71 -47.77 44.36 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.532 -0.758 . . . . 74.0 110.536 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.569 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.7 mm-40 -61.01 -30.15 70.13 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.179 0.592 . . . . 72.32 111.395 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.414 ' HD2' HD22 ' A' ' 38' ' ' LEU . 43.0 t80 -70.13 -44.72 68.31 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.453 0.701 . . . . 74.53 111.16 176.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -66.7 -35.24 79.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 120.831 0.348 . . . . 72.43 110.485 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' THR . 27.3 mm-40 -66.37 -36.88 83.98 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.878 -0.601 . . . . 72.44 110.522 174.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -67.5 -39.52 85.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 123.499 0.72 . . . . 75.13 110.976 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 7' ' ' ARG . 78.5 mt -61.44 -46.86 88.33 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.947 0.499 . . . . 65.22 110.785 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -74.25 -28.31 61.17 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.442 -0.799 . . . . 72.21 110.869 -176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.2 t -67.88 -49.58 61.22 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.171 0.588 . . . . 62.41 110.289 175.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 48.7 t -62.35 -45.81 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.042 -0.981 . . . . 64.22 110.025 177.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.32 -21.79 63.82 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.299 0.64 . . . . 50.44 112.005 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -72.97 -36.37 67.1 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.307 0.643 . . . . 73.25 109.939 172.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -72.66 -36.02 67.85 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.205 0.202 . . . . 71.04 110.864 174.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.7 mt -66.6 -32.03 73.11 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.206 0.526 . . . . 63.24 109.984 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -68.41 -45.35 72.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.529 1.132 . . . . 75.01 110.729 171.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -26.93 57.81 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.821 0.848 . . . . 74.03 112.575 -172.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' HD13 ' A' ' 93' ' ' LEU . 91.6 mt -103.6 -19.21 14.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.314 0.646 . . . . 73.15 111.21 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.77 8.68 61.85 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 123.332 0.395 . . . . 64.2 113.3 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -78.81 -6.13 88.54 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-O 119.516 -0.602 . . . . 54.41 113.706 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.77 43.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.28 1.032 . . . . 75.03 112.834 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.76 -31.61 53.07 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.291 -0.868 . . . . 74.3 110.118 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -67.68 -37.53 82.46 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.493 0.717 . . . . 64.13 111.245 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 66' ' ' GLY . 77.3 t -68.73 -42.92 83.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.977 0.911 . . . . 63.12 110.185 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -64.35 -42.38 96.26 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.496 -0.775 . . . . 75.23 111.094 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 93.1 m -62.88 -46.34 88.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.89 0.876 . . . . 64.11 110.307 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.442 ' CD2' HG12 ' A' ' 89' ' ' ILE . 60.0 t80 -68.67 -57.53 5.55 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.572 -0.74 . . . . 71.25 111.098 -173.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.1 mt -59.24 -38.28 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 123.676 0.79 . . . . 73.23 111.987 -174.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.1 m -69.04 -46.18 68.54 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 122.835 0.454 . . . . 65.44 111.355 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -82.16 -33.66 29.43 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.616 0.598 . . . . 61.04 112.616 -173.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 5.5 t -72.28 157.21 38.13 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.94 0.496 . . . . 72.24 109.676 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -117.37 10.59 13.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.283 0.633 . . . . 72.13 110.83 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -68.75 142.56 54.92 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.591 0.757 . . . . 74.2 110.288 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -111.08 148.3 38.38 Favored Pre-proline 0 N--CA 1.471 0.62 0 N-CA-C 109.358 -0.608 . . . . 73.34 109.358 169.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.33 120.35 8.06 Favored 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.613 2.209 . . . . 63.23 110.551 168.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -122.16 154.83 36.9 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.383 1.073 . . . . 74.22 108.864 -171.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.71 107.08 0.47 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 122.949 0.5 . . . . 43.34 110.534 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 98.66 -19.48 54.22 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 119.831 -0.427 . . . . 75.43 113.045 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -122.5 110.44 15.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.265 0.626 . . . . 52.23 110.527 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' HB2' ' SD ' ' A' ' 34' ' ' MET . . . -83.01 163.53 20.92 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.257 0.623 . . . . 74.13 110.554 171.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 47.4 t -85.57 90.36 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 N-CA-C 108.138 -1.06 . . . . 61.03 108.138 173.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -78.23 105.36 9.41 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.711 0.804 . . . . 74.01 110.025 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.442 HG12 ' CD2' ' A' ' 73' ' ' PHE . 60.8 mt -86.77 108.53 18.71 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 124.186 0.994 . . . . 52.04 109.354 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.49 111.52 3.24 Favored 'Trans proline' 0 C--N 1.372 1.771 0 C-N-CA 121.684 1.589 . . . . 72.1 109.461 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.453 ' HB2' HG23 ' A' ' 29' ' ' ILE . 92.0 mt -82.95 108.88 16.59 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.652 -0.499 . . . . 55.42 109.652 -175.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.45 86.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.175 0.99 . . . . 61.35 108.802 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 64' ' ' LEU . 68.5 mt -121.82 27.54 8.08 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.455 0.702 . . . . 74.12 110.982 -174.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.28 -51.51 43.2 Favored Glycine 0 C--N 1.346 1.117 0 N-CA-C 111.485 -0.646 . . . . 34.3 111.485 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.74 -46.24 66.33 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.854 0.862 . . . . 71.11 110.405 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 mmm-85 -71.93 -35.59 69.67 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.417 -0.811 . . . . 73.12 112.792 -168.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.99 -38.06 64.25 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 109.389 -0.597 . . . . 45.32 109.389 173.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -61.01 -16.3 41.79 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.074 0.549 . . . . 74.44 112.428 -177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.46 -43.47 96.87 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.232 0.613 . . . . 65.2 111.196 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 40.9 p-90 -89.94 -21.71 22.32 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 119.219 -0.419 . . . . 73.01 111.332 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.3 mp -67.87 105.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.152 0 N-CA-C 108.549 -0.908 . . . . 73.21 108.549 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 44.1 mm -113.08 97.61 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.347 1.059 . . . . 61.54 108.33 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.8 mt -132.71 119.85 20.92 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.941 1.296 . . . . 71.31 107.734 177.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.56 1.333 0 CA-C-O 118.619 -0.705 . . . . 72.31 111.273 -175.717 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . 58.9 ttp . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.71 -0.478 . . . . 70.43 109.71 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.0 p -87.86 -178.48 6.04 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.396 1.078 . . . . 74.14 109.776 173.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.3 73.02 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.165 0.291 . . . . 40.43 112.464 171.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.61 -54.46 35.46 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.178 0.991 . . . . 61.11 109.364 171.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -68.44 -27.64 66.36 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.138 0.975 . . . . 63.24 111.947 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 20' ' ' VAL . 56.2 tp -71.82 -44.09 64.5 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.396 -0.594 . . . . 70.3 109.396 178.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.582 ' HB2' HD13 ' A' ' 54' ' ' LEU . 55.9 ttt180 -62.52 -42.71 99.7 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 123.787 0.679 . . . . 74.12 110.376 176.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -59.46 -40.74 87.83 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.117 -0.947 . . . . 74.22 110.604 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.56 -29.7 70.19 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.982 0.513 . . . . 72.34 111.39 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 26.5 mt -79.82 -34.81 39.17 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.654 0.781 . . . . 64.4 110.638 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -77.27 -52.78 8.62 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.005 0.922 . . . . 74.03 111.229 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.59 -36.57 64.55 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.457 1.103 . . . . 65.4 112.031 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -81.63 -65.65 0.99 Allowed 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.264 0.352 . . . . 75.21 111.265 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -101.87 -33.9 9.6 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.468 0.707 . . . . 73.03 112.33 -168.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.04 41.38 Favored Glycine 0 N--CA 1.476 1.364 0 CA-C-O 120.16 -0.244 . . . . 45.12 113.527 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -135.54 141.31 45.2 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.295 0.638 . . . . 74.44 109.739 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 p -82.98 78.99 9.47 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.792 0.837 . . . . 73.15 109.687 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -72.22 156.53 39.04 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.599 0.714 . . . . 73.23 112.793 -175.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -79.23 142.68 36.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 107.854 -1.165 . . . . 64.34 107.854 167.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.562 HG21 HD21 ' A' ' 6' ' ' LEU . 5.3 m -119.97 125.6 74.43 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 108.647 -0.872 . . . . 73.24 108.647 177.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -123.42 125.89 45.79 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.929 0.892 . . . . 75.11 109.819 -170.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.3 m-85 -69.61 149.92 47.62 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.489 0.715 . . . . 64.41 110.223 174.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -142.13 114.7 8.46 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.468 0.707 . . . . 71.33 109.196 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -107.64 110.07 21.85 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.778 0.831 . . . . 75.2 109.571 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -144.63 139.93 28.37 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 124.248 1.019 . . . . 72.43 109.014 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 64.38 20.1 12.04 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.598 1.159 . . . . 64.11 111.011 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.35 83.24 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 116.267 -0.424 . . . . 53.12 113.377 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -102.9 160.96 14.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.513 1.125 . . . . 70.01 109.778 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.4 tp -118.04 133.92 63.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 CA-C-O 121.54 0.686 . . . . 72.53 110.428 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -131.34 123.27 27.92 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.132 1.373 . . . . 74.0 107.793 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -90.28 97.65 11.31 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.024 -0.732 . . . . 23.12 109.024 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -87.81 102.18 14.42 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.743 0.817 . . . . 54.42 110.274 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 51.7 t -66.96 113.83 3.33 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.509 -0.769 . . . . 64.03 109.224 175.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmt -70.17 156.39 39.29 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.355 1.062 . . . . 74.53 111.379 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 33.2 p90 -77.13 -8.11 56.93 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.473 1.109 . . . . 75.21 111.786 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -81.21 136.24 35.83 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.261 1.024 . . . . 73.21 108.803 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -135.25 157.93 45.65 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.287 0.635 . . . . 75.41 110.057 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 50' ' ' TYR . 40.5 tp -65.31 -19.99 66.2 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.846 0.859 . . . . 71.05 112.149 -171.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -68.9 -23.69 64.22 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 122.329 0.252 . . . . 74.33 111.071 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -73.78 131.04 41.15 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 123.259 0.624 . . . . 74.11 110.503 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.61 -19.66 63.64 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.943 0.897 . . . . 75.44 110.829 174.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.5 m -79.58 6.87 9.44 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.239 1.016 . . . . 51.14 112.51 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -70.48 124.1 90.24 Favored Pre-proline 0 CA--C 1.559 1.293 0 C-N-CA 123.325 0.65 . . . . 51.12 109.585 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -82.09 4.92 6.68 Favored 'Trans proline' 0 C--N 1.381 2.282 0 C-N-CA 123.145 2.563 . . . . 73.43 114.187 -170.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.414 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 72.7 mtm -121.87 154.75 36.67 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 108.876 -0.787 . . . . 71.13 108.876 175.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.668 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 1.6 m-20 -68.6 167.46 15.02 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.172 -0.677 . . . . 74.13 109.172 171.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.37 -38.14 89.15 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.127 -0.488 . . . . 50.2 110.099 177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 17.3 m -62.17 -51.88 66.04 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 123.599 0.562 . . . . 75.44 109.764 173.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.668 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.2 mm-40 -59.82 -32.74 70.94 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.722 0.809 . . . . 73.3 111.699 -176.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 38' ' ' LEU . 39.9 t80 -65.02 -47.69 76.55 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.785 0.834 . . . . 73.24 110.635 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -70.39 -34.35 72.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.569 0.347 . . . . 74.15 110.492 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 48' ' ' THR . 16.6 mm-40 -62.32 -43.56 98.54 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.669 0.788 . . . . 71.23 109.784 173.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.05 -44.42 96.72 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.579 1.174 . . . . 71.02 110.512 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.582 HD13 ' HB2' ' A' ' 7' ' ' ARG . 88.6 mt -60.43 -49.22 78.42 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.855 0.722 . . . . 62.33 111.125 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -71.09 -28.65 64.49 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.063 0.852 . . . . 75.03 110.404 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 t -70.84 -40.32 72.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.417 0.687 . . . . 71.24 110.026 174.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 37.9 t -67.66 -49.95 65.38 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 C-N-CA 123.722 0.809 . . . . 62.23 110.281 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -69.45 -27.07 64.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.754 0.822 . . . . 65.33 111.639 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.08 -41.01 74.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.796 0.838 . . . . 51.53 109.861 172.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -40.36 89.33 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.346 1.059 . . . . 74.3 109.741 177.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 94.8 mt -65.32 -39.95 93.09 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.06 0.944 . . . . 71.15 110.073 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -64.81 -39.49 93.67 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.247 1.019 . . . . 75.44 110.703 176.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.89 90.4 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.434 0.694 . . . . 33.24 110.691 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.5 mt -75.05 -27.9 60.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.906 0.882 . . . . 71.4 112.011 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.4 2.79 84.95 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-N 116.46 -0.336 . . . . 71.23 112.266 -170.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.62 2.31 88.14 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-O 119.673 -0.515 . . . . 74.24 113.25 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.91 97.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.317 0.647 . . . . 65.23 110.836 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.39 -34.6 68.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.907 0.883 . . . . 65.21 110.142 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 17.2 mm-40 -68.39 -36.32 78.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.106 0.563 . . . . 74.34 111.771 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' HG21 ' A' ' 89' ' ' ILE . 80.9 t -65.14 -44.94 95.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 O-C-N 123.831 0.707 . . . . 75.24 110.172 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 8.6 mtpm? -65.09 -51.6 60.44 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.228 -0.896 . . . . 71.53 111.264 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.0 m -61.82 -40.26 94.63 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.6 1.16 . . . . 74.11 111.29 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CD2' HG12 ' A' ' 89' ' ' ILE . 66.6 t80 -66.99 -61.37 1.97 Allowed 'General case' 0 C--N 1.351 0.645 0 C-N-CA 123.226 0.611 . . . . 74.4 110.084 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.6 mt -55.49 -43.42 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 C-N-CA 124.275 1.03 . . . . 65.11 112.117 -173.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.8 m -57.51 -53.42 58.39 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.459 0.704 . . . . 71.43 111.701 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -77.76 -41.69 36.66 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.067 -0.515 . . . . 65.11 111.975 -171.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.5 t -72.95 148.57 44.16 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.8 0.44 . . . . 75.34 110.265 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -106.97 14.86 25.98 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.246 0.618 . . . . 71.15 110.591 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.55 122.23 17.11 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 123.233 0.613 . . . . 74.32 110.251 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -108.36 133.12 20.69 Favored Pre-proline 0 C--O 1.243 0.733 0 C-N-CA 124.383 1.073 . . . . 75.2 108.95 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.22 122.89 12.31 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 123.41 2.74 . . . . 74.13 111.832 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 39.0 ttm180 -131.22 155.74 46.57 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.118 1.367 . . . . 75.23 108.789 -171.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.02 104.29 0.55 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.348 0.659 . . . . 74.42 110.202 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.9 -10.16 58.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 115.763 -0.653 . . . . 71.25 113.364 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 7.7 tmtm? -124.2 103.9 8.52 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.96 0.904 . . . . 70.31 108.742 177.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.62 148.72 24.7 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.541 0.737 . . . . 71.2 109.669 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.1 t -78.96 89.18 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 107.761 -1.199 . . . . 74.45 107.761 172.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.9 t -78.44 93.4 4.74 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.638 -1.165 . . . . 72.13 109.059 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' VAL . 56.7 mt -77.43 110.86 13.87 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.043 -0.98 . . . . 72.34 108.946 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.38 112.99 3.66 Favored 'Trans proline' 0 C--N 1.365 1.411 0 C-N-CA 121.351 1.367 . . . . 74.45 109.989 175.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 29' ' ' ILE . 61.2 mt -77.23 91.03 3.73 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.338 -0.986 . . . . 75.42 108.338 177.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.481 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 12.1 t70 -70.47 99.99 1.7 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.439 -1.255 . . . . 71.11 108.67 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.663 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 90.1 mt -125.19 15.44 8.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.025 -0.989 . . . . 74.34 110.89 -173.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.19 -58.51 9.46 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 111.415 -0.674 . . . . 62.03 111.415 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -88.63 -23.55 23.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.113 0.565 . . . . 72.05 110.224 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.663 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 75.9 mtt-85 -70.74 -13.09 61.93 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 122.974 0.51 . . . . 72.21 112.269 177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.413 ' O ' HD13 ' A' ' 101' ' ' ILE . . . -62.82 -32.05 73.18 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 122.949 0.499 . . . . 34.44 110.747 173.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 t -80.32 -9.55 59.74 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 123.212 0.605 . . . . 75.31 111.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 96' ' ' ARG . 43.7 mt-10 -78.58 -36.04 45.0 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.638 0.375 . . . . 64.25 111.592 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.408 ' HE1' ' HA ' ' A' ' 97' ' ' ALA . 39.2 p-90 -96.09 -6.5 38.39 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 122.211 0.204 . . . . 63.1 110.958 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 97' ' ' ALA . 1.8 mp -89.97 102.63 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 106.652 -1.61 . . . . 74.2 106.652 162.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.4 mm -103.79 100.15 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 N-CA-C 109.119 -0.697 . . . . 64.03 109.119 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.4 mt -117.0 150.34 38.76 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.773 0.829 . . . . 71.21 110.075 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 CA--C 1.554 1.116 0 C-N-CA 124.825 1.25 . . . . 74.32 109.092 -179.444 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 tpp . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 109.782 -0.451 . . . . 74.12 109.782 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.3 p -100.62 164.67 11.77 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 108.155 -1.054 . . . . 73.54 108.155 168.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.62 -30.98 69.81 Favored Glycine 0 C--N 1.348 1.205 0 O-C-N 123.037 0.21 . . . . 64.31 112.729 173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -59.5 -56.07 26.57 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.883 0.873 . . . . 71.33 110.555 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.31 -34.13 77.03 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.678 0.791 . . . . 72.53 111.781 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 20' ' ' VAL . 39.8 tp -65.67 -44.03 87.54 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 123.715 0.634 . . . . 73.43 109.848 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB2' HD13 ' A' ' 54' ' ' LEU . 61.5 ttt180 -65.67 -41.48 92.41 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.214 0.606 . . . . 75.45 110.342 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -69.52 -22.05 63.62 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.728 0.811 . . . . 71.51 111.207 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.4 tp -76.99 -37.09 55.84 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.696 -0.483 . . . . 71.35 109.696 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 43.9 mt -76.47 -33.88 58.7 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.749 0.82 . . . . 75.22 110.545 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -76.75 -43.84 35.49 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.949 0.9 . . . . 55.51 111.428 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.35 -34.56 78.24 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 122.483 0.313 . . . . 71.45 110.764 179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -81.68 -66.57 0.87 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.176 -0.466 . . . . 74.34 111.01 -178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.459 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.4 m-90 -102.68 -11.99 18.0 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.944 0.72 . . . . 74.32 112.944 -169.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.87 -1.61 87.92 Favored Glycine 0 N--CA 1.476 1.345 0 N-CA-C 113.707 0.243 . . . . 50.14 113.707 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -132.22 134.53 45.44 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.038 0.935 . . . . 73.21 109.58 -174.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 p -85.73 93.94 8.99 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.213 0.605 . . . . 73.52 109.665 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 98.0 m-85 -82.72 160.42 22.36 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.331 0.652 . . . . 54.1 112.55 -176.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -76.14 140.54 41.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.759 -1.109 . . . . 53.03 108.29 169.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG21 HD21 ' A' ' 6' ' ' LEU . 8.8 m -128.76 125.46 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 108.509 -0.923 . . . . 63.53 108.509 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -116.84 148.46 41.22 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 122.999 0.519 . . . . 70.43 109.983 -176.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' HB3' HD11 ' A' ' 29' ' ' ILE . 45.2 m-85 -86.05 121.39 28.6 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 109.755 -0.461 . . . . 72.44 109.755 173.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.636 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 31.7 tpt180 -99.82 111.61 23.92 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.342 -0.985 . . . . 71.52 108.342 175.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.44 95.82 6.09 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 107.587 -1.264 . . . . 72.43 107.587 -178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.8 t -141.03 139.59 34.15 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.868 0.467 . . . . 74.44 109.886 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 63.53 27.84 15.13 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.081 1.352 . . . . 63.01 111.216 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.1 -3.36 71.66 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 115.78 -0.645 . . . . 74.14 113.677 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -101.05 163.21 12.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.29 1.036 . . . . 54.32 110.736 -171.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.8 tp -116.96 133.14 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-O 121.629 0.728 . . . . 74.04 109.994 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 59.5 m-85 -130.19 163.54 26.46 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 124.91 1.284 . . . . 75.25 108.135 177.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 tp -128.07 98.34 5.08 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.24 -0.652 . . . . 72.24 109.24 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -87.52 105.34 17.25 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.092 0.557 . . . . 74.13 110.412 -178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 46.6 t -68.74 103.42 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 N-CA-C 108.789 -0.819 . . . . 64.35 108.789 173.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.5 mmt -64.36 156.1 30.27 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.166 0.986 . . . . 61.51 111.51 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 44.4 p90 -77.39 -14.04 59.8 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.817 0.847 . . . . 74.21 111.638 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -78.28 110.0 12.91 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 123.098 0.559 . . . . 75.01 109.585 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 18.4 p90 -100.47 158.42 15.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.977 0.511 . . . . 73.35 110.195 173.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD22 ' CD2' ' A' ' 50' ' ' TYR . 53.9 tp -62.16 -26.95 68.62 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.972 0.909 . . . . 73.04 112.529 -171.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 35.3 tt0 -64.86 -23.73 67.32 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 123.39 0.676 . . . . 62.31 111.544 179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.06 129.44 39.9 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.348 0.659 . . . . 64.21 110.415 172.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.61 -17.39 62.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.958 0.903 . . . . 71.45 111.671 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -85.48 5.46 31.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.223 1.009 . . . . 63.53 111.825 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -68.62 123.54 88.0 Favored Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 122.873 0.469 . . . . 74.13 109.948 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -74.43 3.01 5.67 Favored 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 123.045 2.497 . . . . 73.44 114.701 -169.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.58 157.22 42.68 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.039 0.935 . . . . 74.04 109.916 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -79.82 177.21 9.06 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.701 0.8 . . . . 70.34 109.882 171.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' HG2' HD21 ' A' ' 38' ' ' LEU . 45.8 mt-10 -64.79 -41.25 95.96 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.105 0.562 . . . . 70.41 111.731 -177.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 m -72.33 -41.81 66.1 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 122.826 0.451 . . . . 74.23 110.69 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -62.62 -36.49 82.96 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 122.973 0.509 . . . . 73.2 110.858 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' CE2' HD11 ' A' ' 54' ' ' LEU . 35.7 t80 -68.31 -39.94 81.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.089 0.955 . . . . 73.02 110.664 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -76.66 -31.16 57.14 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 122.267 0.227 . . . . 62.31 110.587 -178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.47 -35.58 80.63 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.139 0.575 . . . . 64.41 110.4 169.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -65.78 -46.52 78.43 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 115.233 -0.894 . . . . 64.3 109.966 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.62 HD13 ' HB2' ' A' ' 7' ' ' ARG . 86.5 mt -60.53 -46.5 89.94 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.971 0.908 . . . . 74.25 110.864 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.93 -32.71 69.71 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.949 0.781 . . . . 73.53 111.358 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.3 t -67.99 -46.42 71.37 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.065 0.546 . . . . 73.4 110.188 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.4 t -59.64 -45.81 93.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.575 0 O-C-N 124.051 0.844 . . . . 63.2 109.865 176.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.38 73.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.475 1.11 . . . . 45.41 111.764 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.26 -39.71 86.15 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.276 1.03 . . . . 63.23 109.724 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -72.28 -35.25 68.67 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.425 0.69 . . . . 73.11 111.447 175.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 74.7 mt -63.84 -42.95 97.49 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 109.565 -0.532 . . . . 64.13 109.565 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -67.08 -46.05 75.46 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.429 -0.805 . . . . 74.43 110.567 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.49 81.47 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.747 0.819 . . . . 74.41 111.772 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -82.52 -19.8 37.97 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 115.173 -0.921 . . . . 64.25 111.189 -176.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.73 4.99 67.02 Favored Glycine 0 C--N 1.355 1.604 0 C-N-CA 123.068 0.366 . . . . 52.14 113.036 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -84.22 3.59 85.67 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-O 119.343 -0.698 . . . . 35.4 114.072 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -60.57 -49.24 78.32 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.666 0.786 . . . . 71.25 111.825 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.93 -34.29 66.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 115.041 -0.981 . . . . 73.03 109.822 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -63.97 -39.01 93.17 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.533 0.733 . . . . 75.14 111.955 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 66' ' ' GLY . 79.6 t -64.59 -45.91 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.585 0.754 . . . . 74.23 109.921 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -59.07 -52.17 66.89 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.07 0.856 . . . . 73.14 111.009 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.3 m -60.28 -40.61 91.01 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.513 1.125 . . . . 64.03 110.768 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.27 -54.45 24.72 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.53 -0.759 . . . . 61.1 109.979 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 77' ' ' THR . 42.9 mt -63.77 -33.3 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.82 0.848 . . . . 51.24 111.652 -175.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 78.2 m -66.1 -44.15 85.2 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.327 0.651 . . . . 75.1 110.356 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -84.61 -28.39 26.55 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.048 0.539 . . . . 74.03 112.397 -174.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.9 t -73.02 148.45 44.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.394 0.616 . . . . 72.34 111.189 -172.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.23 4.1 17.57 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.858 -1.065 . . . . 64.12 109.726 174.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -83.31 143.6 30.26 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.459 0.703 . . . . 63.31 110.917 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.459 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 14.2 mtp180 -116.07 143.79 31.6 Favored Pre-proline 0 C--O 1.242 0.674 0 C-N-CA 124.502 1.121 . . . . 73.44 109.614 177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.09 118.04 5.37 Favored 'Trans proline' 0 C--N 1.371 1.754 0 C-N-CA 122.284 1.989 . . . . 70.22 110.778 172.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -122.62 165.14 16.95 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.645 0.778 . . . . 75.5 109.111 -176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.8 tp -54.62 106.36 0.21 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.532 0.733 . . . . 72.34 111.052 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.78 -28.33 12.57 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.479 -0.782 . . . . 74.04 112.748 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -114.44 119.37 36.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.696 0.799 . . . . 63.43 111.041 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.99 159.08 15.19 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.797 0.839 . . . . 63.13 110.349 171.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.534 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 65.5 t -90.79 89.63 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 N-CA-C 108.067 -1.086 . . . . 64.25 108.067 171.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.2 t -77.25 100.47 5.85 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.963 0.905 . . . . 74.25 109.771 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.6 mt -85.96 111.43 38.02 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.261 1.024 . . . . 70.41 109.82 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -75.41 115.53 4.26 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.298 1.998 . . . . 74.23 111.336 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.41 ' HB2' HG23 ' A' ' 29' ' ' ILE . 70.0 mt -84.43 96.96 9.25 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.149 -0.686 . . . . 52.3 109.149 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -76.13 93.5 3.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.357 -0.838 . . . . 71.41 109.725 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.5 mt -118.48 26.62 9.47 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 115.691 -0.686 . . . . 70.3 111.171 -172.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.11 -100.77 0.04 OUTLIER Glycine 0 C--N 1.347 1.166 0 CA-C-O 120.016 -0.324 . . . . 35.35 112.316 178.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.39 -37.82 84.8 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.012 0.925 . . . . 72.11 111.243 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -59.71 -38.95 83.01 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.929 0.768 . . . . 74.53 112.556 -173.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.95 -24.55 67.06 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.269 0.47 . . . . 62.41 112.269 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.1 t -69.06 -7.88 39.96 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 112.667 0.617 . . . . 64.1 112.667 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -57.86 -35.76 71.41 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.312 0.645 . . . . 54.45 111.484 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -103.96 -3.26 24.93 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 112.331 0.493 . . . . 73.34 112.331 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.08 96.88 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 107.5 -1.296 . . . . 65.13 107.5 167.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.5 mm -104.99 101.41 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.843 0.857 . . . . 74.34 109.339 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.62 149.1 41.25 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.014 0.925 . . . . 73.32 109.517 178.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 108.756 -0.831 . . . . 74.33 108.756 -179.658 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.56 ' SD ' ' HB1' ' A' ' 67' ' ' ALA . 28.3 ttt . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 108.831 -0.803 . . . . 62.41 108.831 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.4 p -80.69 176.54 9.71 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 123.884 0.874 . . . . 73.03 110.459 174.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.9 -25.24 70.57 Favored Glycine 0 C--N 1.345 1.039 0 CA-C-N 115.983 -0.553 . . . . 73.41 112.711 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -61.18 -47.65 85.19 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 123.898 0.879 . . . . 70.23 110.644 169.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -66.19 -38.51 88.18 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.783 0.433 . . . . 73.15 111.257 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 20' ' ' VAL . 44.3 tp -64.07 -43.85 94.21 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 115.139 -0.937 . . . . 72.24 110.366 174.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -67.06 -41.85 85.75 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.894 0.878 . . . . 74.12 110.973 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' NE2' HD12 ' A' ' 11' ' ' LEU . 24.3 mm-40 -66.77 -22.98 66.02 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.788 0.835 . . . . 70.45 110.936 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.9 tp -77.09 -36.76 55.49 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.946 0.898 . . . . 72.51 110.411 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 28.0 mt -71.76 -38.11 70.41 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.291 0.636 . . . . 72.41 109.873 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD12 ' NE2' ' A' ' 8' ' ' GLN . 96.2 mt -74.45 -37.2 63.33 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.866 0.866 . . . . 70.54 110.901 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -53.65 -56.01 21.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.437 1.095 . . . . 64.33 110.454 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 74' ' ' ILE . 0.1 OUTLIER -84.86 -58.95 2.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 114.43 -1.259 . . . . 72.53 111.823 -169.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.506 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.5 m0 -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.504 0.557 . . . . 73.32 112.504 -168.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.36 4.57 85.97 Favored Glycine 0 C--N 1.348 1.247 0 N-CA-C 114.507 0.563 . . . . 44.1 114.507 174.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.435 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 93.8 m-85 -132.25 145.15 51.11 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.964 0.505 . . . . 74.55 109.931 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.6 p -83.62 80.83 8.99 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.231 -0.895 . . . . 73.41 109.791 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.435 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 84.1 m-85 -77.57 147.98 35.42 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.19 0.596 . . . . 73.24 111.99 -176.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.27 141.88 48.91 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.713 -0.847 . . . . 71.41 108.713 169.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.711 HG21 HD21 ' A' ' 6' ' ' LEU . 17.0 m -129.07 127.19 65.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.422 -0.955 . . . . 62.41 108.422 176.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -129.94 143.24 50.7 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.992 0.517 . . . . 73.21 110.142 -177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.593 ' HB3' HD11 ' A' ' 29' ' ' ILE . 65.8 m-85 -77.59 152.65 33.85 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 115.216 -0.902 . . . . 74.24 111.555 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -143.04 120.85 11.92 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.313 -0.858 . . . . 50.12 108.704 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -115.45 107.52 15.29 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.789 0.836 . . . . 73.25 108.832 -170.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -144.24 137.99 27.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.52 0.728 . . . . 54.22 109.878 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 59.76 29.36 18.92 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.615 1.166 . . . . 72.31 111.567 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.34 4.57 84.4 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 116.338 -0.392 . . . . 65.31 113.589 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -104.24 160.08 15.17 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.292 1.037 . . . . 73.44 110.131 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 22' ' ' PHE . 11.1 tp -122.43 136.66 58.55 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 N-CA-C 109.549 -0.537 . . . . 72.2 109.549 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -132.62 124.14 27.75 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.273 1.029 . . . . 74.23 108.742 -175.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -91.49 98.44 11.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 108.588 -0.893 . . . . 71.24 108.588 175.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -87.26 111.89 21.48 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 110.134 -0.321 . . . . 73.01 110.134 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.522 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 55.5 t -69.72 112.31 4.4 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 C-N-CA 123.871 0.869 . . . . 53.11 109.49 173.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 36.7 mmt -71.68 156.74 39.02 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.776 0.798 . . . . 73.12 111.347 173.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -76.6 -14.96 59.95 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.937 1.695 . . . . 74.12 110.825 174.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -73.33 107.9 5.9 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.854 0.862 . . . . 73.0 109.025 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -108.68 153.89 22.78 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 122.674 0.39 . . . . 75.3 110.157 172.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.99 -25.36 65.19 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.418 1.074 . . . . 62.42 112.642 -171.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -73.46 -3.64 28.79 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.684 0.794 . . . . 51.01 112.447 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -94.46 138.7 32.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.426 0.69 . . . . 64.53 109.654 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.88 -25.3 62.73 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.736 0.815 . . . . 73.42 110.928 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.2 p -69.19 -15.06 63.31 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.346 1.058 . . . . 72.32 112.676 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -61.39 125.79 85.02 Favored Pre-proline 0 CA--C 1.556 1.184 0 C-N-CA 124.158 0.983 . . . . 75.32 110.602 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -82.08 2.78 8.3 Favored 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.919 2.412 . . . . 62.33 114.721 -165.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.5 mtm -123.0 154.9 37.84 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.308 0.643 . . . . 75.41 110.4 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -77.39 170.33 16.75 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.63 0.772 . . . . 60.21 109.956 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.49 -61.46 2.32 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.965 0.906 . . . . 74.14 112.684 -170.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 14.3 m -65.97 -36.6 83.78 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.693 0.797 . . . . 74.34 110.839 -177.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.24 -31.09 70.33 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.054 0.541 . . . . 71.11 111.31 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.433 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 15.9 t80 -66.6 -37.99 86.07 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.247 0.619 . . . . 74.32 110.321 170.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -67.12 -38.67 85.99 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.107 0.563 . . . . 73.53 110.537 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 48' ' ' THR . 17.0 mm-40 -70.48 -30.65 67.51 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.972 0.509 . . . . 74.22 110.746 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -64.05 -48.34 76.64 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.501 0.72 . . . . 72.22 110.254 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.433 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 73.0 mt -61.89 -38.06 86.9 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.625 0.578 . . . . 64.53 110.804 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -73.22 -29.36 62.75 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.911 -1.04 . . . . 73.02 110.617 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.4 t -70.28 -43.05 71.24 Favored 'General case' 0 C--O 1.245 0.827 0 C-N-CA 123.859 0.864 . . . . 73.52 110.182 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 45.7 t -61.24 -47.61 92.71 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 114.995 -1.002 . . . . 45.55 109.891 176.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.0 -24.13 62.32 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.737 0.815 . . . . 73.41 111.878 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -66.09 -44.27 84.87 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.518 0.727 . . . . 71.5 109.662 172.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -65.06 -40.15 94.31 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.341 -0.845 . . . . 75.11 110.842 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.4 mt -62.59 -39.31 93.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.886 0.474 . . . . 73.21 110.644 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.87 -49.45 70.47 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.394 0.677 . . . . 75.21 110.56 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.47 97.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.435 0.694 . . . . 61.42 112.286 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.3 mt -80.78 -18.04 48.91 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.422 -0.808 . . . . 71.31 111.637 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.84 85.9 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 112.139 -0.385 . . . . 72.22 112.139 -168.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.45 -2.91 88.43 Favored Glycine 0 C--N 1.352 1.456 0 CA-C-O 119.464 -0.631 . . . . 71.03 113.068 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.56 ' HB1' ' SD ' ' A' ' 1' ' ' MET . . . -62.82 -49.0 76.65 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 123.59 0.756 . . . . 74.55 110.984 177.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.67 -30.68 50.52 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 114.911 -1.04 . . . . 64.41 110.487 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -66.57 -45.57 78.88 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.018 0.527 . . . . 44.43 110.725 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' A' ' 89' ' ' ILE . 88.9 t -66.69 -45.07 89.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.493 0.717 . . . . 75.31 110.939 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -62.04 -54.19 44.92 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.66 -0.7 . . . . 74.44 110.906 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -58.75 -43.24 90.23 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.92 0.888 . . . . 73.45 111.556 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -63.59 -59.67 4.32 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.495 0.497 . . . . 74.43 110.519 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.559 ' HA ' HG22 ' A' ' 77' ' ' THR . 52.7 mt -62.65 -37.14 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 123.476 0.71 . . . . 51.13 111.365 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -65.52 -38.16 88.85 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.327 0.651 . . . . 72.1 111.77 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -95.8 -10.41 29.12 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.47 0.545 . . . . 74.53 112.47 -175.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.559 HG22 ' HA ' ' A' ' 74' ' ' ILE . 5.9 t -97.45 157.67 15.88 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.591 0.632 . . . . 62.54 109.603 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -127.93 27.86 5.65 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.48 1.112 . . . . 72.43 108.229 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -99.03 125.14 44.44 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.62 0.768 . . . . 71.23 110.634 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 67.7 mtp180 -100.34 146.13 31.45 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.268 -0.878 . . . . 74.25 110.65 -177.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.53 141.12 41.31 Favored 'Trans proline' 0 C--N 1.37 1.704 0 C-N-CA 122.551 2.167 . . . . 73.41 111.476 169.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 2.9 tmt_? -136.22 162.09 33.93 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.821 1.248 . . . . 75.43 108.089 -174.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.54 104.01 0.1 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 123.496 0.718 . . . . 74.14 111.425 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 100.4 -34.28 5.68 Favored Glycine 0 N--CA 1.473 1.158 0 CA-C-N 115.685 -0.689 . . . . 54.1 112.284 -177.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 23.4 tptm -87.96 113.4 23.56 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.716 1.206 . . . . 74.45 110.754 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.87 147.87 24.5 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.976 0.51 . . . . 64.42 110.364 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.522 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 85.2 t -89.44 91.68 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.098 -1.075 . . . . 61.32 108.098 171.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.9 t -78.43 105.47 9.71 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.483 0.713 . . . . 50.31 109.332 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 70' ' ' VAL . 65.2 mt -87.78 113.13 53.13 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.501 0.72 . . . . 71.31 109.23 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.56 113.69 3.59 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 121.992 1.795 . . . . 55.03 110.652 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.557 ' HB2' HG23 ' A' ' 29' ' ' ILE . 57.8 mt -89.45 95.0 10.09 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 108.5 -0.926 . . . . 73.5 108.5 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.36 107.69 1.71 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.149 -0.685 . . . . 65.12 109.149 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.602 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 19.6 mt -106.73 11.92 29.73 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 114.988 -1.006 . . . . 74.41 109.522 171.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.91 -58.88 7.61 Favored Glycine 0 C--N 1.357 1.703 0 N-CA-C 111.225 -0.75 . . . . 53.34 111.225 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -72.12 -42.63 65.81 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.223 0.609 . . . . 64.1 110.212 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.602 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 32.9 mmt180 -66.63 -17.37 64.79 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 113.691 0.997 . . . . 74.14 113.691 -172.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.01 -37.12 86.25 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 121.25 0.548 . . . . 62.25 111.286 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -71.01 -6.6 40.16 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.531 0.732 . . . . 65.0 112.557 -172.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -78.68 -39.29 37.14 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 122.966 0.506 . . . . 70.43 111.613 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 31.6 p-90 -93.32 -7.67 44.2 Favored 'General case' 0 N--CA 1.485 1.315 0 CA-C-N 117.615 0.189 . . . . 73.44 111.483 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.58 98.85 8.84 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 107.01 -1.478 . . . . 71.13 107.01 163.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 41.8 mm -99.62 101.62 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.132 0.573 . . . . 74.41 109.54 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.2 mt -119.27 108.26 14.42 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 108.233 -1.025 . . . . 71.53 108.233 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 CA--C 1.561 1.369 0 C-N-CA 124.065 0.946 . . . . 75.15 109.707 -178.649 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 108.629 -0.878 . . . . 75.41 108.629 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.425 HG23 ' HB3' ' A' ' 4' ' ' GLN . 4.2 t -97.09 158.54 15.38 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 109.554 -0.536 . . . . 73.04 109.554 171.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.29 -17.76 53.52 Favored Glycine 0 C--N 1.349 1.26 0 CA-C-N 115.697 -0.683 . . . . 51.43 113.617 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 58.7 tt0 -62.49 -61.81 2.18 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.665 0.786 . . . . 72.42 109.78 171.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -56.43 -35.57 68.0 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.186 0.594 . . . . 75.33 111.701 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 20' ' ' VAL . 17.2 tp -69.28 -47.69 63.83 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.234 -0.894 . . . . 72.33 111.349 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.503 ' NH2' ' HG2' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -67.66 -39.33 84.54 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 118.112 0.414 . . . . 71.13 110.951 176.029 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 17.1 mm100 -66.71 -27.55 67.72 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.966 0.506 . . . . 71.43 111.41 -176.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.9 tp -69.33 -38.97 78.44 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.588 0.755 . . . . 74.01 109.879 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 42.1 mt -76.85 -33.82 57.87 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.922 0.889 . . . . 73.23 110.821 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.6 mt -77.97 -29.43 49.77 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.295 1.038 . . . . 64.4 111.097 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.76 -44.05 21.42 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.288 -0.415 . . . . 74.42 109.888 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 74' ' ' ILE . 24.8 tptp -76.67 -57.97 3.55 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.662 -0.699 . . . . 74.02 111.614 -172.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -107.9 -16.65 14.25 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.872 0.469 . . . . 72.13 111.782 -174.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.27 6.5 68.68 Favored Glycine 0 N--CA 1.472 1.075 0 CA-C-O 119.911 -0.383 . . . . 61.22 113.988 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 92.0 m-85 -142.22 147.43 36.51 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.466 0.706 . . . . 73.13 110.248 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -86.93 86.42 7.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.518 0.727 . . . . 72.12 109.895 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.7 m-85 -79.22 146.38 33.09 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.369 0.668 . . . . 55.41 112.019 -177.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.72 128.89 37.69 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 109.882 -0.414 . . . . 71.21 109.882 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.563 HG21 HD21 ' A' ' 6' ' ' LEU . 16.3 m -114.21 126.82 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 108.602 -0.888 . . . . 73.21 108.602 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -142.23 143.87 33.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.798 0.439 . . . . 53.2 110.209 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.632 ' HB3' HD11 ' A' ' 29' ' ' ILE . 81.9 m-85 -74.72 158.83 32.88 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 123.699 0.8 . . . . 70.3 111.601 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 19.1 tpt180 -146.25 117.92 8.09 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.443 -0.798 . . . . 62.11 109.266 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.89 111.49 24.03 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 123.761 0.825 . . . . 73.44 109.621 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -145.93 137.36 24.87 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 109.377 -0.601 . . . . 61.43 109.377 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 64.93 15.53 9.99 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.986 1.314 . . . . 72.14 112.93 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.0 0.79 77.22 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-O 120.499 -0.056 . . . . 74.42 113.073 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -101.17 162.61 12.77 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.12 0.968 . . . . 74.2 110.741 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -123.85 134.78 65.53 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 C-N-CA 123.642 0.777 . . . . 74.35 109.303 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.454 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 82.8 m-85 -132.05 135.97 46.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.78 1.232 . . . . 72.01 109.083 -176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 tp -97.39 100.35 11.79 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 109.149 -0.685 . . . . 74.3 109.149 171.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -90.37 109.36 20.48 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 121.227 0.537 . . . . 63.11 110.959 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -74.44 106.64 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 114.597 -1.183 . . . . 73.11 109.311 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -63.13 163.87 9.44 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.299 1.039 . . . . 50.31 112.101 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.543 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 25.2 p90 -85.77 -8.16 58.3 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.618 1.167 . . . . 72.42 112.217 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -96.65 144.01 27.08 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.957 0.503 . . . . 72.32 110.095 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -135.05 159.39 41.68 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.103 -0.953 . . . . 73.31 110.835 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD22 ' HD2' ' A' ' 50' ' ' TYR . 48.8 tp -67.38 -22.92 65.54 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.222 1.009 . . . . 71.22 112.404 -171.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -70.95 -11.2 60.83 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.321 0.649 . . . . 53.33 110.892 -177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -84.62 131.35 34.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.833 0.853 . . . . 65.1 109.399 168.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.42 -11.41 60.23 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.402 0.681 . . . . 74.32 111.105 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.6 t -84.13 -11.44 56.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.111 0.964 . . . . 74.31 111.702 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -60.28 124.2 76.76 Favored Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 123.794 0.837 . . . . 74.01 110.295 -177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.21 -37.74 59.75 Favored 'Trans proline' 0 C--N 1.388 2.656 0 C-N-CA 123.519 2.813 . . . . 43.24 113.947 -174.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 74.1 mtm -96.55 144.6 26.48 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.031 0.532 . . . . 64.12 110.001 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -83.36 -179.1 7.28 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.781 0.832 . . . . 74.23 109.356 174.387 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.0 mt-10 -59.81 -45.29 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 112.784 0.661 . . . . 72.15 112.784 -171.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.8 m -81.16 -33.09 33.35 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.851 0.46 . . . . 34.31 110.529 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -59.39 -48.48 81.48 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.515 0.674 . . . . 73.41 110.268 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.509 ' HD2' HD22 ' A' ' 38' ' ' LEU . 48.8 t80 -72.9 -33.9 66.31 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 114.401 -1.272 . . . . 73.22 111.643 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.503 ' HG2' ' NH2' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -66.78 -46.98 73.58 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.253 0.549 . . . . 73.3 109.71 -177.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -71.98 -26.06 62.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.471 -0.786 . . . . 73.42 111.014 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -63.75 -44.25 94.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.533 0.733 . . . . 72.51 110.199 170.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 7' ' ' ARG . 87.4 mt -59.71 -49.07 79.17 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.3 0.64 . . . . 64.33 110.811 176.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.18 -32.48 73.94 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 124.012 0.82 . . . . 74.03 110.796 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.2 t -70.22 -46.92 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.557 0.743 . . . . 72.1 110.62 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 40.5 t -61.1 -44.13 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 123.777 0.831 . . . . 71.12 110.192 176.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.28 -28.28 67.05 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.672 1.189 . . . . 64.31 111.858 -176.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -65.84 -46.87 76.92 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.483 -0.781 . . . . 74.43 109.584 172.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -65.82 -33.44 75.87 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 123.69 0.619 . . . . 63.52 111.743 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 78.7 mt -61.06 -41.83 97.35 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 122.446 0.299 . . . . 64.13 110.63 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -76.2 -40.21 52.83 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.458 0.303 . . . . 74.34 111.223 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.96 -45.96 90.97 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.04 0.936 . . . . 71.12 110.953 -177.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.7 mt -84.3 -24.31 29.92 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 114.311 -1.313 . . . . 62.11 110.703 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.6 8.99 61.85 Favored Glycine 0 N--CA 1.479 1.554 0 N-CA-C 113.795 0.278 . . . . 73.55 113.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -86.16 4.02 86.45 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-O 119.532 -0.593 . . . . 72.21 113.543 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.44 87.9 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.557 0.743 . . . . 53.13 111.872 -177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.56 -35.19 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 115.491 -0.777 . . . . 74.1 110.06 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.25 -33.69 74.85 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.455 0.702 . . . . 74.42 111.353 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 66' ' ' GLY . 87.0 t -68.97 -46.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 123.671 0.788 . . . . 75.14 110.225 173.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -69.83 -22.18 63.3 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 115.241 -0.89 . . . . 74.42 111.81 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.8 m -78.19 -54.87 5.75 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.262 -0.644 . . . . 60.12 109.262 173.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -63.39 -59.72 4.32 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.148 -0.933 . . . . 71.32 111.211 -170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.401 ' O ' ' HE3' ' A' ' 13' ' ' LYS . 52.9 mt -56.92 -45.92 83.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 123.602 0.761 . . . . 73.32 111.451 -176.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.8 m -65.63 -27.66 68.55 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.299 0.64 . . . . 73.41 111.889 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -95.12 -33.93 12.47 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.816 0.673 . . . . 54.44 112.816 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -76.9 126.82 31.62 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.145 0.498 . . . . 72.44 111.162 -168.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -87.35 6.43 33.66 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.272 0.629 . . . . 74.43 110.888 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.78 140.88 40.9 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.433 0.693 . . . . 72.25 110.021 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -115.36 142.96 29.51 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.395 -0.82 . . . . 73.45 109.328 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.543 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 45.4 Cg_endo -70.06 119.18 6.15 Favored 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 122.04 1.827 . . . . 71.15 110.412 174.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 77.1 ttt180 -125.21 162.1 25.43 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.963 1.305 . . . . 75.34 108.848 -174.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 63.4 tp -48.52 111.96 0.53 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.274 0.63 . . . . 55.43 110.709 174.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.74 -34.65 4.52 Favored Glycine 0 CA--C 1.53 1.013 0 CA-C-N 116.032 -0.531 . . . . 50.15 112.627 -177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 61.8 tttp -90.94 103.19 15.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.808 0.843 . . . . 65.35 110.821 -178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.87 137.17 32.6 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.361 -0.607 . . . . 75.11 109.361 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.2 t -76.85 88.16 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 N-CA-C 108.116 -1.068 . . . . 73.44 108.116 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.2 t -83.34 108.33 16.46 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.263 -0.881 . . . . 71.31 109.309 -174.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.7 mt -89.52 109.68 33.57 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 124.056 0.942 . . . . 73.03 109.341 -178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.01 112.31 2.68 Favored 'Trans proline' 0 C--N 1.372 1.784 0 C-N-CA 121.724 1.616 . . . . 74.42 110.24 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.616 ' HB2' HG23 ' A' ' 29' ' ' ILE . 72.6 mt -84.82 95.62 9.04 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.729 -0.841 . . . . 74.24 108.729 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -72.61 90.44 1.36 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.537 -1.21 . . . . 54.34 110.587 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.1 mt -103.29 28.09 6.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 115.711 -0.677 . . . . 74.3 110.35 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.84 -79.17 0.2 Allowed Glycine 0 C--N 1.352 1.45 0 O-C-N 123.154 0.284 . . . . 73.35 112.473 -175.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -82.2 -21.8 36.28 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.09 0.556 . . . . 75.31 110.632 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -73.81 -6.79 49.19 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.447 0.699 . . . . 63.35 112.014 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.94 70.18 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.48 0.312 . . . . 73.52 111.225 167.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.1 m -76.04 -10.92 59.81 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.361 0.875 . . . . 74.15 113.361 -172.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.8 -42.72 99.37 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.19 0.596 . . . . 71.31 111.384 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -87.7 -12.37 45.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 116.146 -0.479 . . . . 71.1 111.767 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -72.41 103.33 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 N-CA-C 107.459 -1.312 . . . . 74.52 107.459 168.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.4 mm -97.36 -57.16 4.63 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 N-CA-C 107.599 -1.259 . . . . 74.02 107.599 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.5 mt 51.9 37.88 22.05 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.712 1.605 . . . . 75.12 113.321 176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 . . . . . 0 CA--C 1.547 0.827 0 C-N-CA 123.836 0.854 . . . . 75.02 109.455 172.689 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 66.7 ttp . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.456 -0.572 . . . . 70.41 109.456 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -81.71 176.81 9.31 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.782 0.833 . . . . 61.12 110.498 172.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.45 -23.2 73.51 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.414 0.446 . . . . 75.05 112.812 176.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -61.04 -51.05 70.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.054 0.942 . . . . 70.54 109.594 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.567 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 14.3 mm-40 -67.89 -39.81 83.59 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.365 -0.834 . . . . 73.34 110.478 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD21 HG21 ' A' ' 20' ' ' VAL . 47.1 tp -61.88 -44.17 97.36 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.321 -0.854 . . . . 72.15 110.437 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.532 HH22 HD23 ' A' ' 38' ' ' LEU . 44.6 ttt180 -63.64 -46.05 87.4 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.088 0.555 . . . . 65.44 110.566 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.77 -24.47 67.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.575 0.75 . . . . 53.4 112.133 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -73.71 -40.34 63.66 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.526 0.731 . . . . 64.11 110.138 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.0 mt -71.3 -35.82 71.43 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.596 0.759 . . . . 63.33 110.19 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.92 -36.05 56.9 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.858 0.863 . . . . 75.22 111.427 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.22 -49.4 72.13 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.769 0.668 . . . . 54.44 111.184 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -85.77 -50.24 7.31 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.475 -0.784 . . . . 73.43 111.565 -172.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 18.6 m0 -105.59 -23.08 12.85 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.8 0.667 . . . . 75.51 112.8 -169.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.33 -2.48 81.06 Favored Glycine 0 N--CA 1.479 1.566 0 N-CA-C 114.085 0.394 . . . . 42.42 114.085 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -132.84 143.29 49.43 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.458 0.703 . . . . 60.23 109.614 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -87.31 81.47 7.89 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.506 -0.924 . . . . 75.41 108.506 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -75.56 145.2 41.42 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.599 0.76 . . . . 75.22 111.518 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -67.61 143.49 56.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.072 -0.714 . . . . 55.34 109.072 173.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.611 HG21 HD21 ' A' ' 6' ' ' LEU . 14.6 m -129.41 138.86 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.962 0.905 . . . . 74.31 108.867 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.05 145.88 26.64 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.494 0.717 . . . . 71.24 110.631 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.631 ' HB3' HD11 ' A' ' 29' ' ' ILE . 93.8 m-85 -81.31 152.5 27.53 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 123.583 0.753 . . . . 63.25 110.565 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -145.78 129.1 16.8 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.054 0.942 . . . . 74.55 109.009 176.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -100.45 96.36 7.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 108.625 -0.88 . . . . 75.0 108.625 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -133.37 139.56 46.87 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 108.921 -0.77 . . . . 74.42 108.921 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 68.82 18.03 8.67 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.175 1.39 . . . . 73.0 111.462 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.37 6.3 86.35 Favored Glycine 0 C--N 1.351 1.404 0 CA-C-N 116.5 -0.318 . . . . 64.33 113.08 -176.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -106.48 -176.42 3.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.889 1.276 . . . . 34.21 109.637 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 22' ' ' PHE . 9.8 tp -130.93 129.45 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 N-CA-C 109.282 -0.636 . . . . 72.31 109.282 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -130.07 130.56 45.03 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.245 1.018 . . . . 54.32 109.278 -175.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.7 tp -92.8 100.14 12.68 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 108.825 -0.806 . . . . 70.3 108.825 173.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -85.19 112.76 21.01 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 109.758 -0.46 . . . . 55.12 109.758 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG22 HG12 ' A' ' 20' ' ' VAL . 29.7 t -79.31 105.23 8.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 114.958 -1.019 . . . . 71.33 109.017 174.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 25.9 mmt -65.43 152.07 44.81 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.614 1.165 . . . . 65.02 111.671 178.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.43 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 36.0 p90 -73.67 -18.99 60.96 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.28 1.032 . . . . 75.24 111.808 175.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -74.83 115.63 14.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.792 0.837 . . . . 74.43 109.308 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 3.9 p90 -110.53 164.99 12.17 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 124.006 0.922 . . . . 74.43 109.606 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 HH22 ' A' ' 7' ' ' ARG . 42.5 tp -68.42 -23.78 64.67 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 118.877 0.762 . . . . 73.31 111.703 -176.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -70.7 -5.5 30.2 Favored 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.838 0.855 . . . . 73.21 110.936 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 1.8 tp60 -59.87 132.03 52.69 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 124.71 1.204 . . . . 64.3 110.458 177.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.0 -21.96 66.72 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.137 0.575 . . . . 74.5 111.867 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -134.9 68.22 1.48 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.698 0.799 . . . . 75.23 109.763 173.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -81.09 121.99 81.18 Favored Pre-proline 0 CA--C 1.548 0.898 0 N-CA-C 108.182 -1.044 . . . . 74.31 108.182 169.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.15 -11.66 6.27 Favored 'Trans proline' 0 N--CA 1.513 2.638 0 C-N-CA 123.921 3.08 . . . . 74.33 115.545 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.3 mtp -123.7 156.3 36.22 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.005 0.922 . . . . 74.15 110.183 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.621 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 72.8 m-20 -76.56 171.73 14.17 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.111 0.564 . . . . 65.31 110.588 175.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.79 -41.08 97.99 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.949 0.9 . . . . 74.5 111.064 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -67.77 -46.38 72.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.623 0.769 . . . . 70.53 110.523 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 13.6 mm-40 -58.47 -44.12 89.17 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.125 0.97 . . . . 71.12 110.222 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' HD2' HD22 ' A' ' 38' ' ' LEU . 68.4 t80 -70.25 -38.77 75.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.092 -1.413 . . . . 72.0 112.079 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -66.7 -44.77 80.82 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 109.647 -0.501 . . . . 61.41 109.647 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.83 -23.72 62.4 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.81 0.844 . . . . 73.41 111.275 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.57 -45.94 74.15 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.104 0.562 . . . . 74.45 109.882 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 7' ' ' ARG . 96.0 mt -60.68 -38.83 86.24 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 123.835 0.709 . . . . 71.04 110.146 176.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.99 -39.67 87.19 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.137 0.898 . . . . 62.13 110.881 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -66.22 -48.08 71.73 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 123.396 0.678 . . . . 52.45 110.474 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.08 -50.91 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 123.993 0.917 . . . . 71.43 110.331 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -70.12 -19.76 63.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.979 0.911 . . . . 74.14 112.015 -177.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.28 -33.97 61.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.974 0.51 . . . . 60.25 110.007 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -71.96 -39.93 69.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.752 0.421 . . . . 62.01 109.997 172.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 58' ' ' ALA . 85.8 mt -59.79 -33.35 71.61 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.284 0.564 . . . . 73.31 110.068 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -72.06 -45.72 59.67 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.042 0.937 . . . . 72.54 111.281 172.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.36 -21.76 59.52 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.879 0.872 . . . . 72.15 112.579 -172.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -103.74 -24.06 13.37 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.368 0.667 . . . . 62.11 110.499 -177.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.47 18.18 49.86 Favored Glycine 0 C--N 1.349 1.251 0 CA-C-N 115.936 -0.575 . . . . 62.22 112.11 -173.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.69 2.67 80.53 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-O 119.355 -0.692 . . . . 64.3 113.957 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.84 65.42 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.564 0.682 . . . . 75.21 110.902 -176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.43 -34.45 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 123.72 0.637 . . . . 73.44 110.521 176.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.424 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 9.5 mm-40 -63.48 -39.37 94.26 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.21 0.604 . . . . 75.24 110.546 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.11 -48.04 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.949 0.9 . . . . 75.14 111.039 177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -57.01 -47.86 79.85 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.055 0.942 . . . . 74.44 111.181 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.469 HG22 ' NE2' ' A' ' 76' ' ' GLN . 90.0 m -64.4 -48.68 74.49 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.379 1.072 . . . . 65.2 110.867 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -65.61 -46.32 79.79 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.872 0.469 . . . . 72.3 111.394 -173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 77' ' ' THR . 47.9 mt -65.94 -36.67 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.301 0.64 . . . . 71.31 111.301 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.1 m -62.6 -38.82 91.67 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.331 0.652 . . . . 73.22 110.954 175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.469 ' NE2' HG22 ' A' ' 72' ' ' THR . 47.8 mt-30 -75.27 -49.16 20.15 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.378 0.671 . . . . 65.44 111.72 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 74' ' ' ILE . 10.6 t -71.27 116.08 11.17 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 121.452 0.644 . . . . 73.13 110.978 -171.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -80.43 -6.25 57.8 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.659 0.784 . . . . 72.14 110.483 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -76.66 152.61 35.73 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 124.093 0.957 . . . . 65.52 110.463 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 98.4 mtt180 -122.95 148.12 53.19 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.262 1.025 . . . . 74.32 109.907 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.43 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 35.9 Cg_exo -60.35 119.07 6.05 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.184 1.923 . . . . 63.44 111.108 172.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.526 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 8.5 tpt180 -114.3 165.39 12.75 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.615 1.166 . . . . 74.14 107.864 -177.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.7 tp -60.33 114.76 3.09 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 118.775 0.716 . . . . 72.42 110.694 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.5 -7.58 81.63 Favored Glycine 0 C--N 1.349 1.287 0 CA-C-N 115.876 -0.602 . . . . 75.34 113.567 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 50.6 tptt -118.5 104.86 11.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.263 1.425 . . . . 72.0 109.935 -174.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.92 152.59 21.16 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.266 0.626 . . . . 74.43 109.603 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.46 95.03 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 108.384 -0.969 . . . . 62.12 108.384 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.4 t -78.43 114.96 17.8 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.681 0.792 . . . . 73.11 110.016 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.6 mt -96.71 110.27 52.44 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 123.641 0.777 . . . . 72.4 109.413 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.24 113.7 3.77 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.273 1.982 . . . . 52.24 110.937 176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.597 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.6 mt -93.1 111.53 23.19 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 108.226 -1.027 . . . . 64.34 108.226 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.424 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 26.1 t70 -77.41 97.02 4.81 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.228 -0.656 . . . . 64.23 109.228 -177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 43.2 mt -104.02 27.6 7.5 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 107.833 -1.173 . . . . 63.12 107.833 163.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.74 -58.99 3.12 Favored Glycine 0 C--N 1.355 1.61 0 N-CA-C 110.491 -1.044 . . . . 52.23 110.491 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -77.4 -51.5 10.69 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.438 -0.949 . . . . 75.31 108.438 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -65.88 -9.51 29.92 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.09 1.144 . . . . 61.24 114.09 -171.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 93' ' ' LEU . . . -55.86 -47.1 77.92 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-N 118.581 0.628 . . . . 75.33 111.336 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 t -72.27 -8.73 56.44 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 113.559 0.948 . . . . 70.11 113.559 -164.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -89.86 -29.9 18.27 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.698 -0.626 . . . . 75.31 111.951 175.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.409 ' NE1' ' HA ' ' A' ' 97' ' ' ALA . 16.0 p-90 -100.98 -6.57 24.32 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 118.288 0.494 . . . . 73.31 110.931 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.1 mp -105.08 99.86 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 106.195 -1.78 . . . . 71.13 106.195 164.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.9 mm -110.56 119.37 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 108.418 -0.956 . . . . 74.32 108.418 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.5 mt -120.71 93.56 4.07 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 123.302 0.641 . . . . 74.43 109.463 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 CA--C 1.553 1.058 0 C-N-CA 124.429 1.092 . . . . 74.25 109.537 179.292 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.533 ' SD ' HD13 ' A' ' 6' ' ' LEU . 55.1 ttm . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 109.301 -0.629 . . . . 73.43 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.1 p -93.32 177.71 5.95 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.831 0.852 . . . . 72.1 108.895 169.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.2 -30.92 68.18 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.302 0.376 . . . . 73.55 112.292 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -62.69 -58.24 8.19 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.521 1.128 . . . . 73.22 110.168 172.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -60.55 -36.64 78.94 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.572 0.545 . . . . 63.4 111.951 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.533 HD13 ' SD ' ' A' ' 1' ' ' MET . 36.3 tp -68.27 -46.03 71.49 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.42 -0.809 . . . . 75.41 110.557 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.478 ' HB2' HD13 ' A' ' 54' ' ' LEU . 75.0 ttt180 -64.12 -42.04 97.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.166 0.586 . . . . 75.44 110.891 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -67.93 -26.58 66.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.01 0.924 . . . . 64.04 111.263 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.0 tp -69.12 -37.94 78.63 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.616 0.766 . . . . 70.21 110.105 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 36.2 mt -74.92 -36.16 62.19 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.727 0.811 . . . . 74.02 110.408 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.71 -35.11 65.08 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.807 0.843 . . . . 74.04 111.541 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.46 -34.65 74.7 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 115.943 -0.571 . . . . 73.0 110.39 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -85.08 -66.82 0.85 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.049 -0.523 . . . . 64.5 111.469 -173.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.402 ' HB2' ' HE2' ' A' ' 18' ' ' TYR . 5.3 m-90 -105.33 -16.89 14.63 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.257 0.623 . . . . 71.31 111.436 -170.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.43 13.96 69.5 Favored Glycine 0 C--N 1.343 0.923 0 CA-C-N 116.247 -0.433 . . . . 71.13 113.876 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 97.0 m-85 -137.35 149.78 47.25 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.298 0.639 . . . . 75.03 109.559 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 m -88.76 90.97 8.63 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.343 -0.984 . . . . 63.23 108.343 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 96.8 m-85 -82.6 148.05 28.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.941 0.496 . . . . 73.44 111.285 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -74.87 110.49 9.21 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.519 -0.764 . . . . 71.11 109.35 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 HD21 ' A' ' 6' ' ' LEU . 30.1 m -102.68 129.8 53.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 108.495 -0.928 . . . . 54.22 108.495 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -143.33 143.57 31.73 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.203 0.601 . . . . 60.5 110.594 -174.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 29' ' ' ILE . 67.8 m-85 -74.3 146.81 42.86 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.525 0.73 . . . . 65.3 111.287 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -144.42 126.46 15.49 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.652 -0.87 . . . . 74.01 108.652 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -108.34 110.96 22.66 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.541 0.736 . . . . 63.14 109.188 -177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 t -137.26 137.65 39.25 Favored 'General case' 0 C--O 1.244 0.765 0 C-N-CA 123.091 0.557 . . . . 74.24 110.012 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 72.31 -13.0 0.66 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.651 1.581 . . . . 63.35 113.199 174.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.35 -12.43 7.52 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 123.094 0.378 . . . . 41.33 112.236 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -102.93 167.83 9.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.726 0.81 . . . . 64.13 111.984 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.533 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.4 tp -116.97 132.26 67.26 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 124.183 0.993 . . . . 74.23 109.789 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -131.02 126.98 37.36 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.328 1.051 . . . . 64.13 108.992 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.4 tp -91.49 100.47 13.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.026 -0.731 . . . . 73.45 109.026 173.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -87.83 113.08 23.15 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.224 0.535 . . . . 74.14 110.858 -177.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.5 t -72.76 103.91 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.681 0 CA-C-N 114.568 -1.196 . . . . 71.52 108.64 169.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.3 mmt -64.81 150.69 47.07 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.294 0.638 . . . . 71.01 110.309 173.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -70.18 -17.41 63.16 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.591 1.156 . . . . 72.42 110.923 170.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -72.49 102.36 3.2 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.661 0.784 . . . . 75.13 109.701 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -97.11 164.02 12.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.233 0.613 . . . . 73.32 110.439 173.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.7 tp -62.41 -23.4 66.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.405 0.682 . . . . 75.24 112.538 -173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -72.38 -10.38 59.71 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.767 0.427 . . . . 75.24 112.111 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.493 ' HB2' ' HB2' ' A' ' 43' ' ' PHE . 84.3 mm-40 -64.33 127.37 31.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.033 0.533 . . . . 74.04 109.792 173.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.16 -31.38 71.76 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.246 0.618 . . . . 70.1 110.441 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.0 t -98.31 28.36 4.14 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.788 0.835 . . . . 74.34 110.799 178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.493 ' HB2' ' HB2' ' A' ' 40' ' ' GLN . 31.2 t80 -73.7 129.83 84.59 Favored Pre-proline 0 CA--C 1.554 1.12 0 N-CA-C 109.042 -0.725 . . . . 73.15 109.042 174.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.21 -13.67 40.4 Favored 'Trans proline' 0 C--N 1.378 2.086 0 C-N-CA 123.308 2.672 . . . . 61.43 114.343 -171.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 70.9 mtm -123.85 157.86 33.18 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.597 0.759 . . . . 75.53 110.431 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -100.2 176.11 5.5 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 108.741 -0.837 . . . . 71.31 108.741 171.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.41 -43.91 75.72 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.251 1.02 . . . . 62.54 113.075 -170.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.5 m -63.64 -61.79 2.09 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 123.624 0.77 . . . . 62.54 111.338 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -66.67 -27.7 67.88 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.129 0.572 . . . . 74.24 111.747 -176.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.61 -43.11 73.4 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.075 0.55 . . . . 73.53 110.817 176.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -66.77 -41.86 87.03 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 108.961 -0.755 . . . . 64.42 108.961 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.05 -25.66 62.74 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.072 -0.967 . . . . 71.11 111.264 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -66.51 -43.71 84.55 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.522 0.729 . . . . 64.21 109.976 171.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 7' ' ' ARG . 88.3 mt -63.38 -39.44 94.52 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.005 0.522 . . . . 75.42 110.185 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -69.05 -33.12 73.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.1 -0.955 . . . . 65.23 110.874 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -67.39 -41.69 84.58 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.693 0.797 . . . . 63.12 110.617 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.409 ' HA ' ' HE2' ' A' ' 22' ' ' PHE . 53.2 t -66.3 -50.89 64.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.661 -0.699 . . . . 63.24 110.348 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -26.29 68.61 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.362 1.065 . . . . 44.53 112.036 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -63.32 -48.25 78.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.011 0.924 . . . . 73.44 110.361 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -71.03 -33.7 70.59 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 123.008 0.523 . . . . 75.45 111.612 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.96 -39.37 91.89 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.162 0.506 . . . . 72.1 110.111 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -68.65 -39.86 80.5 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.983 -1.008 . . . . 73.54 110.848 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.69 -25.38 59.12 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.701 0.8 . . . . 44.42 112.895 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.1 mt -108.36 -14.79 14.61 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.134 0.574 . . . . 65.25 111.931 -175.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.92 11.44 73.51 Favored Glycine 0 C--N 1.348 1.248 0 N-CA-C 112.33 -0.308 . . . . 63.3 112.33 -172.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.15 -4.41 90.24 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-O 119.496 -0.613 . . . . 55.14 113.305 -178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.63 83.45 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 117.256 0.528 . . . . 54.31 110.962 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.52 -35.02 64.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 O-C-N 124.203 0.939 . . . . 32.21 110.022 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.61 HE21 ' HG3' ' A' ' 96' ' ' ARG . 84.5 mm-40 -64.5 -45.22 88.23 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.398 0.679 . . . . 71.12 111.491 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.1 t -68.26 -42.54 84.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 123.85 0.718 . . . . 75.24 110.918 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -59.78 -59.1 5.97 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.943 0.777 . . . . 62.35 110.732 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.8 m -60.67 -40.25 91.42 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.305 1.003 . . . . 71.15 111.332 -175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -63.74 -59.17 4.91 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.746 0.654 . . . . 64.44 110.329 -179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.1 mt -61.12 -36.91 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.769 0.828 . . . . 72.5 111.748 -176.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.0 m -72.78 -26.54 61.57 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.149 0.58 . . . . 74.04 111.865 -175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -95.91 -44.47 7.36 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 122.203 -0.311 . . . . 65.13 111.745 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.0 t -66.93 163.27 20.04 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.237 0.541 . . . . 61.31 111.216 -175.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -126.48 16.83 7.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.874 0.87 . . . . 72.33 110.203 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.54 137.87 38.86 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.788 0.835 . . . . 74.03 110.859 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -113.65 133.53 22.2 Favored Pre-proline 0 N--CA 1.469 0.5 0 C-N-CA 124.232 1.013 . . . . 71.11 109.353 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.79 119.69 6.7 Favored 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 122.079 1.853 . . . . 42.4 110.277 173.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.49 170.12 9.43 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.177 0.991 . . . . 74.13 109.184 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.35 94.73 0.12 Allowed 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 122.992 0.517 . . . . 73.22 110.839 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 111.47 -29.14 8.89 Favored Glycine 0 N--CA 1.474 1.217 0 N-CA-C 111.743 -0.543 . . . . 71.44 111.743 -175.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -92.4 110.55 21.96 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.672 1.189 . . . . 64.51 110.448 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.8 136.16 43.13 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.059 0.544 . . . . 75.42 109.711 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.557 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 89.7 t -78.23 89.39 1.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 N-CA-C 108.567 -0.901 . . . . 64.52 108.567 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.6 t -78.78 100.59 7.19 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.283 -0.871 . . . . 75.3 108.893 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 60.0 mt -82.1 108.42 11.48 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 124.122 0.969 . . . . 71.32 109.212 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -71.03 115.43 4.27 Favored 'Trans proline' 0 C--N 1.371 1.742 0 C-N-CA 122.162 1.908 . . . . 45.42 110.525 175.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.503 ' HB2' HG23 ' A' ' 29' ' ' ILE . 63.4 mt -78.61 92.29 4.7 Favored 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.601 -0.889 . . . . 64.34 108.601 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -65.43 99.8 0.44 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.128 -0.942 . . . . 74.22 109.402 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.5 mt -114.66 69.89 0.72 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.314 -0.857 . . . . 72.14 109.099 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -106.36 -65.26 0.63 Allowed Glycine 0 N--CA 1.467 0.75 0 N-CA-C 108.986 -1.646 . . . . 72.04 108.986 167.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -67.61 -40.62 84.72 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.131 0.972 . . . . 71.45 109.369 171.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.61 ' HG3' HE21 ' A' ' 69' ' ' GLN . 37.7 mmt180 -77.67 -12.32 59.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.59 0.756 . . . . 64.35 112.424 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.21 -24.36 57.76 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.489 0.315 . . . . 72.32 110.631 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 t -87.54 -9.08 55.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.621 0.769 . . . . 43.42 111.909 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.579 ' HG2' ' HA ' ' A' ' 96' ' ' ARG . 11.8 mm-40 -55.49 -44.78 76.86 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 123.388 0.675 . . . . 63.52 111.454 -178.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -87.31 -3.25 59.03 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.729 -0.669 . . . . 74.43 112.653 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.71 103.75 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 108.449 -0.945 . . . . 71.44 108.449 172.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.51 80.35 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 106.579 -1.637 . . . . 71.14 106.579 167.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -109.24 146.04 34.89 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.206 -0.906 . . . . 74.43 109.567 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 123.856 0.862 . . . . 52.21 109.179 -178.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . 53.4 ttp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.595 -0.15 . . . . 72.23 110.595 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.5 p -77.68 171.25 15.22 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.274 1.03 . . . . 75.54 110.109 172.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.44 -27.68 71.19 Favored Glycine 0 N--CA 1.48 1.607 0 N-CA-C 112.339 -0.304 . . . . 73.51 112.339 171.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.83 -57.38 12.89 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 123.998 0.919 . . . . 72.2 110.377 170.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.59 -36.73 79.24 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.745 0.818 . . . . 53.03 111.688 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 20' ' ' VAL . 53.3 tp -60.36 -45.88 91.91 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.85 0.86 . . . . 75.22 110.18 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.531 ' HB2' HD13 ' A' ' 54' ' ' LEU . 57.4 ttt180 -66.45 -44.4 82.91 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.419 0.449 . . . . 73.44 110.362 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -65.03 -22.06 66.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.612 0.765 . . . . 74.42 112.006 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -74.47 -40.98 61.53 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.509 0.724 . . . . 62.41 109.585 176.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 29.8 mt -70.95 -32.39 69.27 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.824 0.849 . . . . 75.22 110.448 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.54 -34.99 30.81 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.142 0.977 . . . . 72.24 111.608 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.92 -40.37 75.59 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.892 0.477 . . . . 72.4 110.187 177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -79.99 -63.73 1.35 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.16 -0.927 . . . . 74.43 111.649 -174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.432 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -104.76 -30.28 10.01 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.161 -0.472 . . . . 63.32 111.456 -171.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.13 21.12 46.93 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 116.35 -0.387 . . . . 74.31 113.308 -177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -133.0 138.59 46.88 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.801 0.84 . . . . 75.22 109.02 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.9 m -85.8 78.65 9.5 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.122 0.569 . . . . 65.43 109.795 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -75.13 149.77 38.96 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.229 0.612 . . . . 74.51 111.246 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 9.4 p-10 -84.63 131.18 34.63 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.096 -0.705 . . . . 70.44 109.096 169.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.532 HG21 HD21 ' A' ' 6' ' ' LEU . 19.9 m -105.44 131.24 55.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 108.809 -0.812 . . . . 53.22 108.809 179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -131.16 141.41 50.09 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.109 0.563 . . . . 73.14 110.193 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' HB3' HD11 ' A' ' 29' ' ' ILE . 76.2 m-85 -73.12 153.69 40.66 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.296 0.638 . . . . 72.31 111.161 177.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -143.08 104.1 4.25 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.667 -1.234 . . . . 63.22 107.667 175.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -103.31 94.48 5.53 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 106.994 -1.484 . . . . 71.4 106.994 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -128.11 139.23 52.63 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-N 114.794 -1.094 . . . . 74.55 108.652 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 65.33 9.28 5.56 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 125.055 1.342 . . . . 72.02 111.809 -176.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.97 -6.82 67.04 Favored Glycine 0 C--N 1.353 1.523 0 C-N-CA 123.49 0.567 . . . . 71.02 112.82 -176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -100.21 139.43 35.89 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.306 0.642 . . . . 75.2 110.117 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.568 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -100.52 129.92 50.59 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 CA-C-O 121.347 0.594 . . . . 63.01 109.596 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -128.51 130.63 47.74 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.651 1.18 . . . . 53.45 108.547 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 HD11 ' A' ' 61' ' ' LEU . 42.1 tp -91.53 99.59 12.5 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 109.011 -0.737 . . . . 75.31 109.011 171.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.81 106.57 18.46 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 122.964 0.505 . . . . 73.43 110.672 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 39.4 t -71.26 111.7 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.01 0.924 . . . . 75.42 108.889 173.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 33.2 mmt -67.59 161.24 26.1 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.238 0.542 . . . . 72.35 111.555 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.498 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 35.1 p90 -83.3 -10.24 58.62 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.658 -1.155 . . . . 74.04 110.875 176.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -89.17 142.04 27.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.206 0.602 . . . . 72.43 109.739 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -135.46 156.69 48.5 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.126 0.97 . . . . 64.02 109.537 -176.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.3 tp -56.55 -31.15 63.89 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.968 0.907 . . . . 74.21 112.761 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -64.71 -14.11 57.23 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.558 0.947 . . . . 64.15 113.558 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -75.28 140.25 43.03 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 110.062 -0.347 . . . . 55.35 110.062 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.11 -17.99 56.23 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.113 0.565 . . . . 71.33 110.446 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.2 t -77.32 -15.58 59.34 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.133 0.973 . . . . 63.33 111.224 175.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 5.5 t80 -67.27 124.79 89.88 Favored Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 124.123 0.969 . . . . 74.1 108.962 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -88.88 7.92 4.12 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.67 2.247 . . . . 71.21 113.377 -174.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 39.1 mtp -113.82 132.15 55.98 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.1 0.96 . . . . 63.51 109.213 -173.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -74.2 176.39 6.66 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.741 0.816 . . . . 54.32 111.075 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -58.62 -67.37 0.37 Allowed 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 124.218 1.007 . . . . 74.02 112.635 -176.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 m -65.57 -34.74 78.96 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.0 0.92 . . . . 71.11 110.688 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.61 -33.5 75.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.607 0.763 . . . . 73.5 111.56 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -64.72 -41.14 96.19 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 122.887 0.475 . . . . 72.23 110.309 172.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -66.95 -36.05 81.35 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 109.591 -0.522 . . . . 71.52 109.591 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.11 -37.42 85.03 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.314 0.646 . . . . 72.53 111.437 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.33 -46.95 86.4 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.956 -0.565 . . . . 63.34 110.329 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 7' ' ' ARG . 93.6 mt -62.73 -45.41 92.84 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.798 0.686 . . . . 65.44 111.25 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -63.62 -38.78 92.41 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.924 -1.035 . . . . 74.52 110.698 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.1 t -65.12 -47.45 77.09 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.84 0.713 . . . . 73.42 110.678 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG11 HG23 ' A' ' 20' ' ' VAL . 67.1 t -63.33 -51.85 65.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.466 -0.788 . . . . 72.23 111.001 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.531 ' HB2' HD22 ' A' ' 6' ' ' LEU . . . -65.63 -26.46 67.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.437 0.695 . . . . 64.13 112.337 -178.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -65.94 -42.52 89.95 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.238 0.615 . . . . 73.35 109.649 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -65.12 -44.39 88.88 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.617 0.573 . . . . 73.25 111.26 174.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.6 mt -59.02 -39.17 81.12 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.376 0.671 . . . . 73.44 110.779 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -76.85 -31.73 57.05 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.659 0.783 . . . . 74.2 111.068 176.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.67 73.97 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.602 0.761 . . . . 21.31 111.469 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.2 mt -95.37 -23.31 17.23 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.953 0.901 . . . . 64.12 110.945 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.49 6.57 64.15 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-N 116.584 -0.28 . . . . 72.05 113.065 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -85.47 0.91 88.51 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-O 119.471 -0.627 . . . . 62.21 113.72 -178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -66.19 -39.94 90.04 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 117.507 0.653 . . . . 52.11 111.637 178.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.04 -38.93 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.035 -0.984 . . . . 72.14 109.83 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -59.52 -40.47 87.23 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.572 0.749 . . . . 63.31 111.267 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' HA ' HG21 ' A' ' 89' ' ' ILE . 85.3 t -65.56 -50.65 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.737 0.815 . . . . 72.42 110.722 177.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HD2' ' HB2' ' A' ' 1' ' ' MET . 51.7 mtpt -63.54 -33.29 75.27 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.481 0.712 . . . . 72.22 111.967 -177.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.7 m -77.5 -44.53 28.47 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.595 0.758 . . . . 70.25 110.839 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.429 ' CD2' HG12 ' A' ' 89' ' ' ILE . 59.9 t80 -65.45 -50.24 66.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.348 0.659 . . . . 73.53 110.861 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 30.3 mt -62.01 -35.61 69.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.041 0 C-N-CA 123.606 0.763 . . . . 70.35 111.294 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 86.2 m -68.7 -48.31 64.2 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 122.636 0.374 . . . . 74.33 111.09 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.21 -36.74 80.03 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.531 0.567 . . . . 73.14 112.531 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.4 t -75.38 158.48 32.68 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 120.937 0.399 . . . . 73.03 110.525 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -121.44 5.51 10.15 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 124.101 0.96 . . . . 60.42 109.124 173.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.5 147.74 47.46 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.875 0.87 . . . . 73.33 110.125 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.432 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 51.8 mtt180 -118.12 143.18 32.36 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-N 114.78 -1.1 . . . . 63.0 109.049 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.498 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 23.8 Cg_exo -62.74 116.73 3.72 Favored 'Trans proline' 0 C--N 1.372 1.802 0 C-N-CA 122.162 1.908 . . . . 55.05 110.501 173.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.594 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 20.1 tpt180 -118.36 160.93 20.8 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.137 0.975 . . . . 74.42 108.856 -171.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.8 tp -57.07 94.88 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 123.678 0.791 . . . . 64.5 111.627 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 108.76 -33.12 6.38 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.403 -0.817 . . . . 65.34 111.869 -176.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.594 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 54.9 tttm -89.74 106.41 18.45 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.7 0.8 . . . . 71.02 110.739 -179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 152.05 25.03 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 109.639 -0.504 . . . . 54.53 109.639 169.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 86.9 t -85.87 89.39 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 107.609 -1.256 . . . . 71.33 107.609 171.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.4 t -80.73 106.32 12.65 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.507 -0.769 . . . . 71.34 109.462 -174.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' VAL . 66.9 mt -92.32 109.3 37.1 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 124.563 1.145 . . . . 75.32 109.529 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.83 113.94 3.17 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 121.856 1.704 . . . . 74.02 110.214 173.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.513 ' HB2' HG23 ' A' ' 29' ' ' ILE . 79.0 mt -82.6 93.37 7.31 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.786 -0.82 . . . . 73.52 108.786 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -73.05 102.19 3.46 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.257 -1.016 . . . . 73.23 108.257 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.0 mt -105.45 21.05 17.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.573 0.749 . . . . 73.14 109.989 177.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.17 -58.01 9.57 Favored Glycine 0 C--N 1.351 1.39 0 N-CA-C 112.337 -0.305 . . . . 44.04 112.337 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -77.35 -33.67 55.33 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.152 0.581 . . . . 75.3 110.043 177.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -68.74 -29.72 68.19 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.53 0.732 . . . . 73.33 112.179 -175.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.492 ' HA ' ' HE1' ' A' ' 100' ' ' TRP . . . -78.58 -32.62 47.74 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.036 0.446 . . . . 70.4 110.446 172.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.9 t -72.55 -28.86 63.09 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.732 -0.667 . . . . 75.1 112.341 -171.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.41 -47.19 86.9 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.88 0.472 . . . . 64.14 111.967 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.492 ' HE1' ' HA ' ' A' ' 97' ' ' ALA . 59.1 p-90 -82.64 -7.4 59.65 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 111.876 0.324 . . . . 71.13 111.876 -178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.43 HD13 ' O ' ' A' ' 97' ' ' ALA . 1.3 mp -72.58 -25.61 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.16 0 C-N-CA 123.755 0.822 . . . . 72.34 110.357 170.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.4 mm 67.27 100.31 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 124.813 1.245 . . . . 70.44 110.63 176.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.1 mp -78.06 -17.53 56.89 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.219 0.608 . . . . 64.04 111.511 -177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.551 0.994 0 C-N-CA 124.365 1.066 . . . . 75.21 110.125 -175.306 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.4 ttm . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.78 -0.452 . . . . 64.42 109.78 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -90.43 -178.24 5.29 Favored 'General case' 0 C--O 1.243 0.731 0 C-N-CA 124.069 0.948 . . . . 74.44 109.936 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.4 -26.41 71.75 Favored Glycine 0 C--N 1.347 1.164 0 O-C-N 123.421 0.451 . . . . 64.23 112.077 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.17 -53.44 30.41 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.406 1.083 . . . . 72.34 109.802 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -59.5 -43.53 93.33 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.921 0.889 . . . . 74.41 111.743 -178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.607 HD21 HG21 ' A' ' 20' ' ' VAL . 32.0 tp -67.36 -42.37 83.58 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.998 0.811 . . . . 63.4 110.343 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HB2' HD13 ' A' ' 54' ' ' LEU . 42.8 ttt180 -58.6 -48.29 81.45 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.915 0.886 . . . . 75.41 110.342 175.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.42 ' NE2' HD12 ' A' ' 11' ' ' LEU . 24.7 mm-40 -67.54 -25.18 65.69 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.301 1.04 . . . . 73.12 111.812 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 tp -71.65 -42.45 67.52 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.885 0.474 . . . . 73.41 109.742 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 47.4 mt -69.37 -32.26 71.18 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.353 0.661 . . . . 70.41 110.939 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD12 ' NE2' ' A' ' 8' ' ' GLN . 95.8 mt -80.4 -41.28 24.87 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.919 0.888 . . . . 73.53 111.431 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -69.6 -35.71 75.54 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.398 0.679 . . . . 75.45 110.86 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -83.08 -65.77 0.97 Allowed 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.859 -0.61 . . . . 55.14 111.761 -176.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.505 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.7 m-90 -104.81 -19.25 13.96 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.421 0.526 . . . . 75.02 112.421 -170.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.66 14.02 64.06 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 114.635 0.614 . . . . 72.33 114.635 175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -141.58 151.31 43.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.245 0.618 . . . . 62.42 110.009 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.0 p -89.03 79.22 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.179 0.992 . . . . 71.44 110.649 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -77.15 151.74 35.17 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.368 0.507 . . . . 70.33 112.368 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -72.26 145.66 47.76 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 108.439 -0.949 . . . . 72.43 108.439 168.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.607 HG21 HD21 ' A' ' 6' ' ' LEU . 7.3 m -133.1 126.29 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.481 0.712 . . . . 72.52 109.143 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -129.13 140.33 51.59 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.247 0.619 . . . . 61.51 110.412 -175.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' HB3' HD11 ' A' ' 29' ' ' ILE . 68.4 m-85 -74.95 149.2 39.45 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 123.763 0.825 . . . . 74.42 110.538 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -142.02 113.36 7.66 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.273 0.629 . . . . 55.2 109.556 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -101.94 105.3 16.07 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.85 0.86 . . . . 61.31 110.012 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.5 t -143.82 136.06 26.76 Favored 'General case' 0 C--O 1.242 0.687 0 C-N-CA 123.446 0.698 . . . . 74.22 109.77 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 63.01 26.18 15.37 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.201 1.4 . . . . 75.12 111.683 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.23 -0.31 88.97 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 115.657 -0.701 . . . . 74.22 113.289 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -99.99 169.33 9.27 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.259 1.024 . . . . 71.14 109.554 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.64 HG23 ' HB2' ' A' ' 91' ' ' LEU . 6.3 tp -130.87 131.3 64.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 CA-C-N 115.35 -0.841 . . . . 55.14 109.245 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -127.95 127.19 42.86 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.591 1.156 . . . . 70.51 108.892 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.72 97.94 11.32 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.379 -0.971 . . . . 65.25 108.379 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -86.2 107.49 17.92 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.6 0.76 . . . . 71.11 110.168 -178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.427 HG22 HG12 ' A' ' 20' ' ' VAL . 28.8 t -77.47 112.79 15.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.16 -0.927 . . . . 72.44 109.073 176.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 31.6 mmt -67.58 155.37 39.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.423 1.089 . . . . 63.44 111.748 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.401 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 21.7 p90 -76.0 -17.1 59.83 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.034 1.333 . . . . 73.41 111.253 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -83.7 135.52 34.54 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.397 0.679 . . . . 75.23 110.111 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -131.87 156.6 45.8 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 124.4 1.08 . . . . 75.1 109.649 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.71 -21.36 65.71 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.012 0.925 . . . . 42.14 112.191 -171.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -69.99 -14.28 62.63 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.163 0.585 . . . . 72.12 112.107 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -81.3 131.75 35.3 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.82 0.848 . . . . 64.34 108.955 173.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.91 66.67 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.265 0.626 . . . . 34.21 111.271 177.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -93.39 19.67 8.04 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.059 0.943 . . . . 75.5 111.677 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -73.89 129.94 84.05 Favored Pre-proline 0 CA--C 1.558 1.271 0 N-CA-C 108.815 -0.809 . . . . 73.14 108.815 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -63.1 -34.74 68.41 Favored 'Trans proline' 0 C--N 1.385 2.46 0 C-N-CA 123.055 2.503 . . . . 73.22 113.733 -170.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.6 mtm -101.0 143.43 31.15 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.563 0.745 . . . . 74.51 109.689 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.0 m-80 -77.39 174.42 10.84 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.944 -0.391 . . . . 74.44 109.944 172.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -57.39 -40.82 79.01 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.357 0.663 . . . . 74.23 112.457 -173.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.9 m -64.92 -51.59 61.05 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.345 0.658 . . . . 65.21 110.208 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.95 -39.57 92.57 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.167 0.987 . . . . 55.13 111.778 -177.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.38 -40.37 81.4 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.144 0.902 . . . . 73.41 110.912 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -67.66 -41.54 83.62 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.092 -0.707 . . . . 73.02 109.092 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.94 -34.71 78.59 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.941 0.896 . . . . 62.41 110.732 175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -67.54 -42.75 82.2 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.715 0.806 . . . . 64.21 110.006 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 7' ' ' ARG . 82.9 mt -59.86 -44.13 94.3 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.919 0.762 . . . . 73.32 110.302 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.74 -31.57 66.82 Favored 'General case' 0 CA--C 1.541 0.635 0 O-C-N 124.285 0.991 . . . . 70.12 110.752 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.7 t -70.58 -43.33 69.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.624 0.77 . . . . 73.21 110.738 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG21 HG23 ' A' ' 20' ' ' VAL . 42.2 t -63.12 -50.12 80.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.515 0 C-N-CA 123.747 0.819 . . . . 54.32 109.886 175.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.64 -20.86 63.59 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.359 1.064 . . . . 75.02 111.948 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -67.1 -44.29 80.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.682 0.793 . . . . 73.24 109.708 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -70.73 -36.21 73.08 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.693 -0.685 . . . . 75.5 111.141 176.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 91.6 mt -61.77 -38.31 87.54 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.764 -0.458 . . . . 70.55 109.764 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -65.6 -54.13 32.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.486 0.714 . . . . 72.24 110.499 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.5 99.49 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.075 0.95 . . . . 61.55 112.13 -170.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 93' ' ' LEU . 79.3 mt -85.27 -22.96 28.38 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.551 0.74 . . . . 70.25 111.773 -175.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.48 13.67 61.12 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 111.879 -0.488 . . . . 44.33 111.879 -171.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.13 -9.62 86.88 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-O 119.361 -0.688 . . . . 73.23 113.527 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.55 -44.7 95.69 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.732 0.813 . . . . 73.42 110.652 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.04 -36.94 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 O-C-N 124.337 1.023 . . . . 55.23 110.269 176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.552 HE21 ' HG3' ' A' ' 96' ' ' ARG . 81.8 mm-40 -67.19 -40.01 86.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.37 0.668 . . . . 73.55 111.338 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 66' ' ' GLY . 90.2 t -66.03 -48.86 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.561 0.744 . . . . 75.12 110.217 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -58.29 -52.64 64.73 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.003 0.921 . . . . 60.31 111.584 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.1 m -61.42 -44.1 97.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.904 0.882 . . . . 35.01 111.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -66.5 -49.5 66.35 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.576 0.548 . . . . 74.31 110.415 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.84 -30.33 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 124.082 0.953 . . . . 74.14 111.143 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.2 m -67.42 -45.35 76.38 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 109.861 -0.422 . . . . 62.33 109.861 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.57 -63.72 1.02 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.042 0.537 . . . . 73.52 111.581 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.5 t -68.23 135.31 51.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.109 0.564 . . . . 64.22 110.197 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -114.47 19.84 15.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.994 0.918 . . . . 72.4 109.563 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -74.22 134.15 42.7 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.88 -1.055 . . . . 73.22 109.99 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.505 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 74.9 mtt-85 -101.35 141.19 22.11 Favored Pre-proline 0 C--O 1.241 0.634 0 CA-C-N 115.232 -0.894 . . . . 73.31 109.964 -177.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 47.1 Cg_exo -55.55 117.95 4.64 Favored 'Trans proline' 0 C--N 1.376 2.016 0 C-N-CA 122.825 2.35 . . . . 72.45 111.368 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -112.01 152.69 27.85 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.918 0.887 . . . . 74.04 109.793 -168.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.8 tp -58.69 116.0 3.43 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 122.914 0.486 . . . . 75.33 110.136 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 93.76 -33.0 5.43 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.93 -0.577 . . . . 61.01 112.698 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.63 113.89 26.25 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.64 0.776 . . . . 75.23 111.348 -172.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.23 152.7 22.09 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.529 0.732 . . . . 65.15 110.922 177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 77.1 t -81.42 91.57 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 108.49 -0.929 . . . . 71.44 108.49 172.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -78.09 103.11 7.82 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.219 -0.9 . . . . 74.22 109.19 -177.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.405 HG21 ' HA ' ' A' ' 70' ' ' VAL . 71.7 mt -88.19 107.78 18.22 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.051 0.94 . . . . 75.02 109.984 -178.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -70.06 113.37 3.4 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.093 1.862 . . . . 63.33 110.476 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.64 ' HB2' HG23 ' A' ' 29' ' ' ILE . 54.0 mt -87.15 99.93 12.29 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 108.227 -1.027 . . . . 64.35 108.227 177.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.85 86.92 2.83 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.561 -0.745 . . . . 74.22 109.35 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.437 HD13 ' HB3' ' A' ' 64' ' ' LEU . 62.3 mt -103.89 71.87 1.07 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.773 0.829 . . . . 73.35 109.002 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -114.18 -79.23 0.86 Allowed Glycine 0 C--N 1.337 0.62 0 CA-C-N 114.888 -1.051 . . . . 72.02 110.869 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -73.25 -39.11 65.69 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.387 0.675 . . . . 75.34 110.272 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.552 ' HG3' HE21 ' A' ' 69' ' ' GLN . 16.0 mmp_? -54.99 -43.5 73.61 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.684 0.794 . . . . 61.01 110.057 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.483 ' HA ' ' NE1' ' A' ' 100' ' ' TRP . . . -64.88 -45.53 85.61 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.907 -1.042 . . . . 75.13 110.692 175.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.1 t -65.36 -26.58 68.08 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.252 0.621 . . . . 72.04 112.518 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -68.31 -37.34 80.49 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.355 0.662 . . . . 62.32 112.096 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.483 ' NE1' ' HA ' ' A' ' 97' ' ' ALA . 39.2 p-90 -94.1 -11.08 31.34 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 118.218 0.463 . . . . 70.11 111.677 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 97' ' ' ALA . 1.6 mp -78.77 -36.85 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 C-N-CA 123.19 0.596 . . . . 60.42 109.502 169.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.4 mm 61.43 84.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.701 1.201 . . . . 75.42 110.592 -175.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.0 mt -82.17 163.83 21.67 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.294 0.638 . . . . 70.45 109.466 168.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 CA--C 1.557 1.218 0 C-N-CA 123.238 0.615 . . . . 55.41 110.993 -179.671 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.551 ' SD ' ' HB2' ' A' ' 6' ' ' LEU . 47.6 ttm . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.608 -0.145 . . . . 75.42 110.608 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -106.54 169.09 8.73 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.743 1.217 . . . . 71.2 109.425 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.75 -21.08 62.65 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-O 120.034 -0.315 . . . . 71.32 112.449 173.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -68.1 -55.91 10.74 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.354 1.061 . . . . 75.2 110.088 172.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.72 -40.66 97.9 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 124.483 1.115 . . . . 70.24 111.351 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 32.0 tp -67.89 -43.38 79.43 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 124.08 0.863 . . . . 60.1 110.816 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -58.75 -52.49 65.46 Favored 'General case' 0 C--N 1.35 0.614 0 C-N-CA 123.301 0.64 . . . . 72.54 110.332 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -69.65 -19.68 63.61 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 114.594 -1.184 . . . . 71.5 112.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 71' ' ' LYS . 24.2 tp -73.33 -24.0 60.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.356 0.525 . . . . 61.5 110.458 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.8 mt -90.45 -35.43 15.14 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.857 0.863 . . . . 74.23 109.988 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.87 -61.03 2.02 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.758 0.823 . . . . 60.3 111.307 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -45.46 -43.68 11.68 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 124.237 1.015 . . . . 71.52 112.376 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 tptt -75.97 -63.12 1.38 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.95 0.9 . . . . 64.3 112.229 -174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.606 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 6.6 m0 -107.44 -23.09 12.32 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 112.661 0.615 . . . . 75.05 112.661 -167.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.89 -3.68 57.35 Favored Glycine 0 N--CA 1.473 1.149 0 N-CA-C 114.105 0.402 . . . . 43.33 114.105 176.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -127.17 149.07 50.14 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.019 0.527 . . . . 65.42 110.537 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 p -85.97 67.33 9.97 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 124.392 1.077 . . . . 63.42 110.35 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.54 152.31 45.5 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.264 -0.426 . . . . 74.13 111.177 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.84 136.38 33.19 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.692 -0.855 . . . . 74.21 108.692 169.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 HD21 ' A' ' 6' ' ' LEU . 30.4 m -105.52 139.62 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 108.699 -0.852 . . . . 64.42 108.699 176.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -132.7 136.44 46.42 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.673 0.389 . . . . 73.42 110.836 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.3 119.07 13.01 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.825 0.85 . . . . 75.3 110.192 174.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -103.41 104.24 14.31 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.123 0.969 . . . . 64.12 108.567 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -101.37 103.82 14.78 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 107.872 -1.158 . . . . 61.31 107.872 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.1 t -145.87 132.94 20.33 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.08 0.552 . . . . 53.05 110.889 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 60.07 33.71 21.27 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.042 1.337 . . . . 73.11 112.28 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.87 7.54 86.35 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 115.76 -0.655 . . . . 54.3 113.367 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -113.68 158.37 20.96 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.234 1.014 . . . . 62.32 109.866 -177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 tp -126.75 130.01 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 C-N-CA 123.478 0.711 . . . . 55.1 110.215 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -132.69 125.26 29.88 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.587 1.155 . . . . 74.1 107.908 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -89.07 97.81 11.41 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.053 -1.091 . . . . 71.15 108.053 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -86.52 106.71 17.71 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.214 -0.448 . . . . 71.4 109.875 -176.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.485 HG22 HG12 ' A' ' 20' ' ' VAL . 37.0 t -66.81 104.92 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.801 0 N-CA-C 107.895 -1.15 . . . . 52.5 107.895 170.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 81.4 mmm -69.5 161.3 29.78 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.481 0.658 . . . . 73.24 111.462 -174.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 18.3 p90 -78.69 4.7 12.95 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 114.504 -1.226 . . . . 74.21 113.022 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -110.96 150.49 29.16 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.211 1.004 . . . . 71.35 109.32 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' HB2' ' A' ' 39' ' ' GLU . 6.7 p90 -137.29 162.25 34.05 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.244 0.617 . . . . 72.05 110.394 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 50' ' ' TYR . 42.5 tp -67.83 -21.62 65.19 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.618 0.767 . . . . 63.12 111.459 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 37' ' ' TYR . 5.6 mm-40 -64.68 -18.6 65.13 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.236 0.615 . . . . 55.02 111.164 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -70.06 126.41 29.6 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.159 0.584 . . . . 65.25 109.926 171.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.36 -23.93 61.99 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.942 0.497 . . . . 65.31 110.467 174.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.4 t -79.0 2.66 19.67 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.131 0.972 . . . . 62.53 111.983 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -71.76 119.5 74.58 Favored Pre-proline 0 CA--C 1.556 1.183 0 C-N-CA 123.518 0.727 . . . . 62.31 109.259 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.93 0.71 9.77 Favored 'Trans proline' 0 C--N 1.384 2.408 0 C-N-CA 122.923 2.415 . . . . 73.14 113.502 -173.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtp -106.74 135.66 47.9 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.21 1.004 . . . . 70.22 108.894 177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 69.8 m-20 -70.1 171.67 9.24 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.984 0.513 . . . . 45.42 110.163 174.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.1 -40.02 96.41 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.112 0.565 . . . . 71.43 110.843 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.4 m -63.76 -44.81 92.34 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 123.708 0.63 . . . . 72.42 109.779 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.9 mm-40 -60.98 -39.07 88.22 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.361 0.665 . . . . 64.41 111.007 -178.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 53.3 t80 -63.22 -49.86 72.53 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.254 0.971 . . . . 74.21 110.789 177.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -67.81 -39.34 83.99 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.602 0.564 . . . . 71.43 111.279 -175.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -73.57 -24.3 60.07 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 123.143 0.577 . . . . 75.4 111.042 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 57' ' ' VAL . 61.1 t60 -67.51 -46.69 72.16 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 108.549 -0.908 . . . . 72.21 108.549 173.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 82.8 mt -64.46 -37.05 86.18 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.999 0.812 . . . . 70.44 111.256 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -69.08 -40.47 78.42 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 123.769 0.668 . . . . 74.13 109.531 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 t -71.08 -37.23 72.45 Favored 'General case' 0 C--O 1.241 0.635 0 CA-C-N 115.375 -0.829 . . . . 74.12 111.127 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 41.0 t -63.59 -51.7 66.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 C-N-CA 123.31 0.644 . . . . 62.01 109.354 175.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.03 -28.33 69.51 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.247 1.019 . . . . 65.12 111.967 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -67.44 -47.56 69.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.645 0.778 . . . . 53.53 109.699 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -63.49 -40.03 96.02 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.08 0.552 . . . . 72.24 110.964 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 96.2 mt -62.96 -32.85 74.27 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.332 0.653 . . . . 74.13 110.82 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -71.85 -41.61 67.89 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.607 0.763 . . . . 75.03 110.773 173.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.54 74.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.589 0.756 . . . . 65.32 111.818 -175.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.0 mt -94.43 -24.94 17.12 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.703 0.801 . . . . 53.33 111.21 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.92 20.48 50.03 Favored Glycine 0 C--N 1.344 0.973 0 CA-C-N 116.143 -0.48 . . . . 53.02 112.735 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -94.84 3.01 67.19 Favored Glycine 0 C--N 1.347 1.161 0 CA-C-O 119.553 -0.582 . . . . 43.43 113.547 -179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.5 -50.59 43.79 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-N 117.407 0.604 . . . . 61.32 111.697 -176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -65.61 -28.3 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 CA-C-N 115.726 -0.67 . . . . 71.34 109.959 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.661 HE21 ' HG3' ' A' ' 96' ' ' ARG . 85.0 mm-40 -62.99 -44.95 94.62 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.237 0.615 . . . . 64.24 111.12 175.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.579 ' HA ' HG21 ' A' ' 89' ' ' ILE . 94.4 t -63.71 -49.89 80.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.568 0.747 . . . . 71.41 110.731 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HA ' HD21 ' A' ' 9' ' ' LEU . 49.5 mtpt -62.53 -45.69 91.81 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 123.763 0.664 . . . . 71.12 111.522 -176.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.477 HG22 ' NE2' ' A' ' 76' ' ' GLN . 94.5 m -64.43 -44.67 90.44 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 123.877 0.736 . . . . 74.13 110.877 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -61.93 -47.43 84.92 Favored 'General case' 0 C--N 1.352 0.686 0 O-C-N 123.574 0.546 . . . . 74.43 110.543 -177.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 mt -67.01 -29.22 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.095 0 C-N-CA 123.684 0.794 . . . . 54.51 111.229 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 33.5 m -67.63 -39.04 84.66 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-O 120.671 0.272 . . . . 73.11 110.53 173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' NE2' HG22 ' A' ' 72' ' ' THR . 46.7 mt-30 -77.98 -63.22 1.44 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.513 0.725 . . . . 64.24 111.167 -176.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.6 t -62.35 137.34 58.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.337 0.655 . . . . 74.03 110.267 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -113.14 14.5 19.49 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.488 0.715 . . . . 70.04 109.835 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -74.48 149.1 40.47 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.483 1.113 . . . . 73.11 110.18 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.606 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 83.7 mtt180 -116.28 145.51 35.22 Favored Pre-proline 0 N--CA 1.474 0.757 0 C-N-CA 123.7 0.8 . . . . 75.41 111.449 -177.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.01 122.26 9.13 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 123.176 2.584 . . . . 74.03 110.959 172.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -139.18 148.61 43.39 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 107.993 -1.114 . . . . 65.14 107.993 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 34.3 tp -47.19 118.42 2.13 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 124.077 0.951 . . . . 64.41 113.308 -168.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.69 -13.34 67.7 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.303 0.478 . . . . 71.32 113.928 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -126.31 104.72 8.35 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.234 1.413 . . . . 72.41 110.436 -173.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.99 143.28 28.0 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.488 0.715 . . . . 71.42 110.872 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -75.82 90.87 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 108.574 -0.899 . . . . 61.11 108.574 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.8 t -79.29 107.89 12.4 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.079 -0.964 . . . . 74.23 109.601 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.579 HG21 ' HA ' ' A' ' 70' ' ' VAL . 73.9 mt -90.31 107.48 20.11 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 123.56 0.744 . . . . 65.2 110.127 -177.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.82 115.0 3.54 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.457 2.105 . . . . 72.23 110.68 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 mt -87.22 107.33 18.44 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 108.996 -0.742 . . . . 71.23 108.996 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.05 95.78 1.66 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.162 -1.051 . . . . 72.52 108.162 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt -106.73 17.58 23.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.23 -1.026 . . . . 63.32 108.23 168.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.29 -50.34 39.56 Favored Glycine 0 C--N 1.352 1.433 0 N-CA-C 110.859 -0.896 . . . . 74.14 110.859 174.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -97.32 -39.47 9.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.321 0.648 . . . . 73.13 111.509 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.661 ' HG3' HE21 ' A' ' 69' ' ' GLN . 38.0 mmt180 -73.96 -12.67 60.71 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 113.643 0.979 . . . . 72.13 113.643 -171.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.432 ' HB1' HD13 ' A' ' 101' ' ' ILE . . . -74.12 -17.06 60.99 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.039 0.381 . . . . 72.23 111.811 177.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.9 t -68.81 -9.58 51.92 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 112.768 0.655 . . . . 72.42 112.768 -173.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -70.37 -42.34 71.89 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.519 0.328 . . . . 74.23 110.526 173.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 29.4 p-90 -103.66 -17.96 14.92 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.221 0.608 . . . . 72.12 111.91 -174.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.432 HD13 ' HB1' ' A' ' 97' ' ' ALA . 1.6 mp -72.5 100.13 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 106.534 -1.654 . . . . 73.1 106.534 166.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 49.2 mm -121.97 93.9 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.294 -1.373 . . . . 73.01 107.294 173.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.5 mt -86.69 104.17 15.84 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.765 0.826 . . . . 75.51 110.021 -177.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 123.59 0.756 . . . . 74.31 109.665 178.641 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 ttm . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.003 -0.369 . . . . 74.4 110.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.0 p -87.16 173.52 9.18 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 109.0 -0.741 . . . . 75.24 109.0 168.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.53 -27.59 71.12 Favored Glycine 0 C--N 1.345 1.036 0 C-N-CA 121.713 -0.279 . . . . 64.04 112.631 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 8' ' ' GLN . 35.2 tt0 -64.07 -51.66 63.0 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.543 0.737 . . . . 75.43 109.842 171.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -65.06 -33.54 76.28 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.592 0.757 . . . . 62.32 112.011 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.476 HD21 HG21 ' A' ' 20' ' ' VAL . 59.7 tp -64.18 -42.26 96.76 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 109.615 -0.513 . . . . 61.1 109.615 174.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' HB2' HD13 ' A' ' 54' ' ' LEU . 72.2 ttt180 -65.55 -40.57 93.01 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.241 0.616 . . . . 74.32 110.724 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 14.8 mm100 -64.48 -34.42 78.17 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 123.018 0.527 . . . . 62.23 110.221 -179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 28.6 tp -64.86 -34.03 77.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.026 0.93 . . . . 74.33 110.49 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 24.1 mt -77.91 -34.89 51.19 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.848 0.859 . . . . 54.1 110.066 178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -27.35 60.43 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.124 0.97 . . . . 63.24 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -80.8 -39.95 25.84 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.909 0.484 . . . . 75.33 110.5 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -77.88 -55.24 5.48 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 115.853 -0.612 . . . . 73.54 111.474 -173.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.1 m-90 -114.06 -15.75 12.23 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.309 0.644 . . . . 74.14 112.035 -171.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.73 18.57 75.11 Favored Glycine 0 C--N 1.346 1.136 0 O-C-N 123.368 0.418 . . . . 70.33 113.33 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -145.61 142.93 29.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.97 0.908 . . . . 71.54 109.105 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 p -88.94 102.13 14.76 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.658 0.783 . . . . 64.41 109.834 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -97.52 148.08 23.61 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.622 0.769 . . . . 71.24 111.511 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -61.71 146.25 49.82 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.287 -0.869 . . . . 70.54 109.224 165.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG23 HG21 ' A' ' 57' ' ' VAL . 15.3 m -138.7 127.32 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 N-CA-C 108.741 -0.837 . . . . 61.32 108.741 -179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -119.1 149.68 41.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.118 0.567 . . . . 75.24 110.934 -175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' HB3' HD11 ' A' ' 29' ' ' ILE . 56.5 m-85 -91.78 148.48 22.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 74.51 110.379 171.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -141.38 128.51 20.87 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.204 -0.665 . . . . 73.1 109.204 178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -111.46 101.5 9.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.818 0.847 . . . . 73.41 109.499 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -145.44 141.28 28.24 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 123.28 0.632 . . . . 73.22 109.979 178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 68.36 21.1 8.45 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.956 1.303 . . . . 73.33 110.811 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.29 -3.43 84.69 Favored Glycine 0 C--N 1.36 1.899 0 CA-C-N 115.728 -0.669 . . . . 54.43 113.345 -175.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -103.2 160.91 14.25 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.154 0.982 . . . . 72.45 111.183 -172.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.577 HD11 ' HB3' ' A' ' 22' ' ' PHE . 8.9 tp -119.03 129.73 74.79 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 C-N-CA 123.946 0.898 . . . . 71.34 109.455 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -125.49 121.77 34.69 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.31 1.044 . . . . 72.24 109.447 -175.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.3 tp -91.17 96.63 10.68 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.73 -0.841 . . . . 64.44 108.73 170.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -88.38 107.56 18.91 Favored 'General case' 0 C--O 1.24 0.574 0 C-N-CA 123.837 0.855 . . . . 74.22 110.401 -178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 58.3 t -68.44 115.5 6.87 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 123.518 0.727 . . . . 72.35 109.372 174.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.2 mmt -77.16 150.92 35.49 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.276 1.03 . . . . 71.33 111.806 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 20.0 p90 -67.15 -21.07 65.83 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.562 1.545 . . . . 55.31 111.597 172.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.3 116.31 10.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.396 0.678 . . . . 63.23 110.176 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -106.37 157.13 17.84 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.961 0.905 . . . . 73.22 108.838 169.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.29 -25.65 65.9 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.125 0.891 . . . . 63.33 112.857 -170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -77.95 13.71 1.32 Allowed 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.063 0.764 . . . . 75.2 113.063 -175.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -103.23 142.05 34.84 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.591 0.756 . . . . 74.4 110.231 168.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -16.22 59.57 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.986 0.915 . . . . 63.22 110.87 176.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.9 m -83.59 0.84 45.0 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.858 0.863 . . . . 72.02 112.102 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -62.93 130.79 94.3 Favored Pre-proline 0 CA--C 1.559 1.319 0 C-N-CA 123.508 0.723 . . . . 71.32 110.429 -178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.59 -11.28 30.72 Favored 'Trans proline' 0 C--N 1.384 2.409 0 C-N-CA 123.279 2.653 . . . . 61.31 113.755 -169.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.472 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . 57.8 mtm -126.35 166.51 17.02 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.168 0.987 . . . . 75.23 110.062 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.534 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 90.9 m-20 -79.6 176.3 9.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 115.336 -0.847 . . . . 73.43 109.411 168.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.28 -40.59 86.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.371 0.668 . . . . 60.4 111.626 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -63.4 -50.75 68.62 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.537 -0.756 . . . . 70.25 109.702 173.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 8.5 mm-40 -65.36 -28.02 68.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.582 0.753 . . . . 70.01 111.667 -174.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.427 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 21.4 t80 -68.57 -49.29 60.58 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.498 0.719 . . . . 72.53 110.446 174.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -70.7 -30.57 67.17 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.163 -0.471 . . . . 75.41 109.963 -175.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.2 -39.44 78.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.433 0.693 . . . . 71.34 110.653 171.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -62.84 -34.16 76.75 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.013 0.925 . . . . 75.34 111.051 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 7' ' ' ARG . 97.6 mt -69.93 -39.35 76.18 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.364 0.666 . . . . 64.25 110.536 178.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -73.26 -30.36 63.4 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.482 -0.781 . . . . 74.11 109.994 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.0 m -64.39 -44.16 92.18 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.437 1.095 . . . . 71.34 110.635 172.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.506 HG21 HG23 ' A' ' 20' ' ' VAL . 40.4 t -67.8 -46.93 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 115.531 -0.759 . . . . 73.41 110.58 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.05 -26.19 68.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.97 0.908 . . . . 72.14 111.655 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -65.25 -45.65 83.72 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.104 0.961 . . . . 73.41 110.091 173.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -68.25 -31.98 71.84 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-N 116.066 -0.516 . . . . 71.0 111.575 174.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 73.0 mt -67.18 -30.3 70.22 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 122.672 0.389 . . . . 63.14 111.014 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -79.51 -42.24 25.65 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.393 0.277 . . . . 74.03 110.404 173.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.4 -44.6 95.53 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.874 0.87 . . . . 43.35 111.867 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -87.1 -21.78 25.8 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 114.972 -1.013 . . . . 73.0 111.124 -178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.7 16.13 73.87 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 111.827 -0.509 . . . . 72.13 111.827 -169.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.4 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -79.73 -3.44 89.08 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 119.118 -0.823 . . . . 61.41 114.016 -177.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.15 87.66 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 117.573 0.686 . . . . 64.13 111.136 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.79 -33.17 61.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-N 114.907 -1.042 . . . . 50.33 110.046 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -70.05 -35.13 74.05 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.248 0.619 . . . . 73.43 111.137 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.539 ' HA ' HG21 ' A' ' 89' ' ' ILE . 77.8 t -68.72 -47.96 73.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.457 0.703 . . . . 72.2 110.245 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.2 -44.6 97.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.659 0.784 . . . . 74.31 111.602 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.5 m -69.22 -41.82 76.54 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.345 0.658 . . . . 62.24 111.195 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -64.39 -50.52 67.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.162 -0.472 . . . . 73.42 109.851 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.438 ' HA ' HG22 ' A' ' 77' ' ' THR . 12.4 mt -63.24 -35.45 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.909 0.884 . . . . 74.24 111.673 -176.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 85.8 m -60.96 -53.45 57.06 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 121.168 0.508 . . . . 52.02 110.748 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -79.53 -32.3 42.22 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.279 -0.873 . . . . 65.5 112.52 -170.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 74' ' ' ILE . 9.3 t -70.44 145.71 50.82 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.813 -0.439 . . . . 73.3 109.813 -176.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -108.92 0.18 20.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.807 0.843 . . . . 74.1 109.623 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.46 152.4 36.17 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.776 0.83 . . . . 60.52 112.667 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 97.2 mtt180 -123.0 148.94 55.6 Favored Pre-proline 0 C--O 1.244 0.793 0 CA-C-N 114.184 -1.371 . . . . 71.21 109.583 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 37.1 Cg_endo -64.37 122.73 10.76 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 122.611 2.207 . . . . 71.33 110.332 173.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.477 HH11 ' HD3' ' A' ' 85' ' ' LYS . 43.3 ttm180 -128.16 146.65 50.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.421 -1.263 . . . . 75.24 107.789 -166.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.5 tp -64.98 89.57 0.08 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.566 0.746 . . . . 75.41 110.497 -175.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.32 -19.86 9.81 Favored Glycine 0 N--CA 1.472 1.083 0 CA-C-N 115.681 -0.69 . . . . 74.22 112.822 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.477 ' HD3' HH11 ' A' ' 82' ' ' ARG . 65.3 tttm -122.59 102.45 8.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.486 0.714 . . . . 55.31 110.033 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.88 147.02 29.53 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.86 0.864 . . . . 52.23 110.387 175.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 59.5 t -77.74 89.59 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.021 -1.103 . . . . 53.41 108.021 173.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -77.49 111.93 13.73 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 108.917 -0.772 . . . . 61.43 108.917 -177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.539 HG21 ' HA ' ' A' ' 70' ' ' VAL . 50.9 mt -101.83 100.28 14.21 Favored Pre-proline 0 CA--C 1.547 0.834 0 N-CA-C 108.746 -0.835 . . . . 44.12 108.746 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.98 113.26 3.35 Favored 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 122.013 1.809 . . . . 71.22 110.028 176.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.528 ' HB2' HG23 ' A' ' 29' ' ' ILE . 42.1 mt -77.84 95.3 4.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.398 -1.334 . . . . 62.43 107.398 176.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.45 102.15 0.39 Allowed 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.045 -0.724 . . . . 75.54 109.045 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.7 mt -109.29 34.52 3.71 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.285 1.034 . . . . 63.12 108.297 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.33 -62.09 3.2 Favored Glycine 0 C--N 1.35 1.324 0 CA-C-N 115.723 -0.671 . . . . 72.02 111.871 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -86.48 -58.79 2.48 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.011 0.524 . . . . 74.33 110.285 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -66.59 -7.2 18.65 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.925 1.29 . . . . 73.01 114.33 -167.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.21 -23.72 66.81 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.934 0.334 . . . . 31.3 111.029 169.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.1 p -69.4 -9.91 55.64 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.834 0.853 . . . . 74.11 112.629 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -55.7 -44.53 77.49 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.058 0.543 . . . . 72.4 111.794 177.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -86.44 -15.4 40.35 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 119.436 -0.316 . . . . 73.42 111.625 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.77 108.67 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 107.924 -1.139 . . . . 62.3 107.924 169.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 104' ' ' GLU . 50.1 mm -109.81 125.3 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 108.68 -0.859 . . . . 75.5 108.68 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.18 -12.19 59.25 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.915 0.886 . . . . 74.54 111.305 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.413 ' H ' HG22 ' A' ' 102' ' ' ILE . 9.8 mm-40 . . . . . 0 N--CA 1.481 1.102 0 C-N-CA 123.096 0.559 . . . . 74.22 109.69 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.6 ttm . . . . . 0 N--CA 1.484 1.227 0 N-CA-C 108.959 -0.756 . . . . 63.32 108.959 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 34.2 p -107.64 166.72 10.47 Favored 'General case' 0 C--O 1.244 0.785 0 C-N-CA 123.717 0.807 . . . . 73.32 109.215 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.24 -23.87 64.74 Favored Glycine 0 C--N 1.345 1.032 0 O-C-N 123.485 0.491 . . . . 54.43 112.663 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.51 -57.02 14.52 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 124.019 0.928 . . . . 65.32 109.772 171.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.67 -37.9 87.8 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.817 0.847 . . . . 72.24 111.793 -175.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 20' ' ' VAL . 41.8 tp -65.78 -43.61 88.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.129 0.572 . . . . 74.42 110.438 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -61.82 -48.14 81.91 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.108 0.563 . . . . 71.32 110.308 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -66.95 -20.67 65.93 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 114.927 -1.033 . . . . 75.21 111.726 -176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.0 tp -72.67 -41.27 65.58 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.464 0.706 . . . . 64.42 110.251 175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -71.88 -31.29 66.28 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.106 -0.952 . . . . 71.43 110.1 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.7 mt -78.4 -32.78 48.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.113 0.965 . . . . 62.53 111.413 176.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.39 -43.65 85.26 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.711 0.804 . . . . 71.05 110.189 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -89.09 -61.57 1.67 Allowed 'General case' 0 C--O 1.241 0.606 0 CA-C-N 115.14 -0.937 . . . . 70.44 110.93 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.448 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 8.2 m0 -98.51 -29.06 13.31 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 116.067 -0.515 . . . . 72.33 112.068 -170.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.46 19.69 61.66 Favored Glycine 0 N--CA 1.473 1.155 0 O-C-N 123.195 0.309 . . . . 52.11 113.762 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -133.22 139.13 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.578 -0.897 . . . . 73.54 108.578 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -84.74 74.81 10.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 109.662 -0.496 . . . . 70.43 109.662 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -71.08 155.19 41.08 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.767 0.427 . . . . 74.52 110.819 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -98.58 144.4 27.93 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 109.485 -0.561 . . . . 75.31 109.485 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG23 HG21 ' A' ' 57' ' ' VAL . 29.4 m -121.11 151.34 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.436 0.694 . . . . 42.21 110.098 -174.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -142.07 141.78 32.79 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.799 0.44 . . . . 63.54 111.465 -176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' ' HA ' ' A' ' 57' ' ' VAL . 72.8 m-85 -81.52 130.22 34.97 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 122.92 0.488 . . . . 75.13 110.153 172.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -124.96 129.82 51.11 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 108.783 -0.821 . . . . 61.0 108.783 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -113.75 106.93 15.08 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 123.552 0.741 . . . . 74.12 109.212 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -144.72 138.54 27.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.87 0.868 . . . . 73.34 109.318 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 64.6 20.76 12.25 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 124.868 1.267 . . . . 75.42 112.756 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.37 9.33 85.88 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 116.927 -0.124 . . . . 64.22 113.08 -174.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -103.51 168.54 9.09 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.242 1.017 . . . . 51.55 109.451 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 91' ' ' LEU . 7.6 tp -131.28 125.92 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-O 121.562 0.696 . . . . 65.04 109.699 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -128.04 121.15 29.0 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.252 1.021 . . . . 73.45 109.38 -175.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.1 tp -90.45 98.02 11.53 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 108.118 -1.067 . . . . 61.23 108.118 173.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -85.01 109.79 18.45 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 123.4 0.68 . . . . 63.43 110.323 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 21.6 t -73.52 109.26 5.67 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 N-CA-C 108.531 -0.915 . . . . 75.02 108.531 169.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 29.7 mmt -66.08 155.93 35.37 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.71 0.804 . . . . 75.11 111.206 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.434 ' HA ' ' HB2' ' A' ' 81' ' ' PRO . 29.4 p90 -77.53 -7.14 55.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.313 1.045 . . . . 70.55 111.354 176.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -90.37 139.81 30.31 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.385 0.674 . . . . 60.04 109.986 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -131.67 155.83 46.92 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.508 1.123 . . . . 74.24 109.5 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.68 -25.78 65.02 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.987 0.915 . . . . 52.25 113.226 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -68.46 -15.98 63.74 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 122.923 0.489 . . . . 54.21 112.016 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.94 144.98 54.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.424 0.689 . . . . 35.03 111.24 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.13 -16.88 39.01 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.31 1.044 . . . . 73.51 110.68 174.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -94.36 5.36 52.02 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.158 0.983 . . . . 72.52 111.393 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -65.54 123.71 85.27 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 123.342 0.657 . . . . 73.21 110.23 -175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -76.18 5.21 4.72 Favored 'Trans proline' 0 C--N 1.378 2.105 0 C-N-CA 123.114 2.543 . . . . 72.22 115.013 -166.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.4 mtm -129.42 152.03 49.41 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.673 0.789 . . . . 71.34 109.524 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 80.6 m-20 -71.82 166.17 22.59 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.839 -0.8 . . . . 73.4 108.839 168.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -60.0 -42.15 93.66 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.836 0.454 . . . . 64.21 111.034 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.0 m -63.48 -46.52 85.78 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.192 0.597 . . . . 75.2 110.377 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 26.3 mm-40 -63.05 -38.89 93.0 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.156 0.582 . . . . 72.02 110.986 -178.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.489 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 27.0 t80 -62.53 -50.81 69.88 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.823 -1.081 . . . . 72.21 110.942 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -69.61 -37.89 77.03 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.943 0.897 . . . . 62.42 111.245 -173.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -69.85 -31.02 68.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.29 0.636 . . . . 62.22 111.165 175.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.63 -37.92 80.1 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.388 -0.369 . . . . 74.44 110.275 175.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.489 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 83.5 mt -63.22 -41.51 99.14 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 123.538 0.524 . . . . 74.5 110.718 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -73.08 -31.96 64.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.467 -0.788 . . . . 73.01 110.568 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.5 t -68.53 -37.3 79.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.798 0.839 . . . . 72.52 110.931 174.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG21 HG23 ' A' ' 20' ' ' VAL . 38.2 t -66.65 -49.17 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 115.657 -0.702 . . . . 75.44 109.589 174.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.43 -27.43 69.29 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.419 1.088 . . . . 73.32 111.803 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -68.63 -42.19 78.38 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.882 0.873 . . . . 74.21 109.871 175.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -68.64 -36.48 78.66 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.626 0.37 . . . . 70.13 111.361 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.15 -21.79 66.44 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.275 0.63 . . . . 62.3 111.704 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -75.9 -54.18 7.28 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.132 0.973 . . . . 74.32 110.077 173.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.49 70.36 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.731 0.812 . . . . 35.22 111.644 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' HB3' HD13 ' A' ' 93' ' ' LEU . 85.4 mt -70.55 -29.11 65.48 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.209 1.004 . . . . 73.43 111.308 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.44 32.24 31.54 Favored Glycine 0 C--N 1.35 1.34 0 CA-C-N 115.805 -0.634 . . . . 60.32 112.693 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -101.73 1.27 52.44 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-O 119.181 -0.788 . . . . 31.41 113.882 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.94 86.39 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.578 0.689 . . . . 74.21 112.305 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.2 t -64.11 -36.51 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.281 -0.872 . . . . 62.1 110.005 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.45 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 13.5 mm-40 -64.36 -38.67 91.87 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.433 0.693 . . . . 61.4 111.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 66' ' ' GLY . 98.1 t -68.35 -47.92 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 123.673 0.789 . . . . 52.12 110.256 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.7 -36.33 83.51 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.198 -0.91 . . . . 72.14 111.543 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.6 m -69.52 -47.91 62.21 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.29 0.636 . . . . 74.13 110.143 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.9 -58.18 7.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.923 0.489 . . . . 71.03 110.884 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.13 -47.66 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 123.872 0.869 . . . . 60.12 111.635 -173.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.7 m -64.73 -30.63 71.65 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 122.71 0.404 . . . . 74.12 111.675 -177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -99.82 -12.7 19.67 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 113.408 0.892 . . . . 72.03 113.408 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -87.81 146.1 25.77 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 118.679 0.672 . . . . 71.43 110.789 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -105.52 7.09 32.82 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.465 0.706 . . . . 75.2 110.221 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -78.29 142.26 37.91 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.537 0.735 . . . . 74.11 110.177 174.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 52.2 mtt180 -119.26 147.08 42.24 Favored Pre-proline 0 N--CA 1.472 0.645 0 C-N-CA 123.681 0.792 . . . . 73.55 109.873 177.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.434 ' HB2' ' HA ' ' A' ' 35' ' ' TRP . 24.1 Cg_exo -63.38 120.08 7.39 Favored 'Trans proline' 0 C--N 1.369 1.651 0 C-N-CA 122.311 2.008 . . . . 71.13 110.934 171.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -126.72 159.35 33.97 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.625 0.77 . . . . 74.21 109.435 -175.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 49.8 tp -56.65 110.16 0.74 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.641 0.776 . . . . 54.33 111.61 -174.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.26 -30.06 10.65 Favored Glycine 0 C--N 1.35 1.325 0 O-C-N 123.58 0.55 . . . . 74.45 112.636 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -109.09 105.21 14.59 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.803 0.841 . . . . 73.13 110.873 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.02 150.64 24.33 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.591 0.756 . . . . 71.34 110.448 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.56 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 84.1 t -80.09 89.75 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 N-CA-C 108.635 -0.876 . . . . 70.24 108.635 173.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.7 t -76.86 98.8 4.98 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.199 1.0 . . . . 65.25 109.066 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 65.9 mt -82.33 108.49 11.96 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 123.866 0.866 . . . . 40.04 109.264 178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.57 114.44 3.7 Favored 'Trans proline' 0 C--N 1.368 1.557 0 C-N-CA 121.731 1.621 . . . . 75.22 111.053 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 29' ' ' ILE . 81.0 mt -86.46 104.86 16.33 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 109.427 -0.583 . . . . 75.31 109.427 -178.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 15.8 t70 -75.7 97.62 3.87 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 109.226 -0.657 . . . . 72.41 109.226 179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 64' ' ' LEU . 47.7 mt -122.6 75.73 1.28 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.333 0.653 . . . . 74.31 110.066 -174.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -88.15 -92.02 1.06 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-N 115.501 -0.772 . . . . 54.01 111.578 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.52 -27.68 63.37 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.262 0.625 . . . . 65.41 111.813 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -69.91 -19.33 63.4 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.858 0.463 . . . . 62.42 111.764 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.48 -31.19 42.31 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.187 0.595 . . . . 63.21 110.314 173.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.8 m -74.53 -8.52 56.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.838 0.855 . . . . 73.43 113.131 -176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.99 -42.94 99.98 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.719 0.808 . . . . 72.21 111.579 178.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -101.5 -15.05 17.26 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.066 0.546 . . . . 63.45 112.366 -176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.98 100.62 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 107.574 -1.269 . . . . 71.11 107.574 166.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 45.5 mm -99.25 105.5 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.928 0.891 . . . . 72.23 109.996 -176.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.2 mt -120.22 99.07 6.37 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 108.665 -0.865 . . . . 63.51 108.665 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 CA--C 1.561 1.375 0 C-N-CA 123.573 0.749 . . . . 64.13 110.333 -177.226 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 ttp . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 109.45 -0.574 . . . . 63.24 109.45 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -82.3 -179.57 7.46 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.355 0.662 . . . . 61.43 110.151 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.98 -22.77 78.68 Favored Glycine 0 C--N 1.347 1.16 0 O-C-N 123.079 0.237 . . . . 60.54 112.91 172.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -62.01 -52.93 61.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.588 0.755 . . . . 70.32 109.225 168.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -70.07 -31.89 69.71 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.399 -0.818 . . . . 71.03 112.153 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.468 HD21 HG21 ' A' ' 20' ' ' VAL . 55.5 tp -69.27 -42.43 75.55 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.215 0.606 . . . . 75.31 109.623 178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.435 ' HB2' HD13 ' A' ' 54' ' ' LEU . 79.7 ttt180 -67.05 -43.45 82.68 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.926 -0.579 . . . . 62.31 110.917 178.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -60.4 -33.41 72.45 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.005 0.522 . . . . 75.55 110.425 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.78 -28.3 68.28 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.877 0.471 . . . . 70.43 111.125 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 mt -85.11 -31.17 23.48 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 123.082 0.553 . . . . 64.33 110.811 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.4 mt -80.91 -44.25 18.57 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.675 0.79 . . . . 45.12 111.874 -174.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -61.29 -36.65 80.65 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.008 0.523 . . . . 71.42 111.063 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -75.17 -65.73 0.85 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.805 -0.634 . . . . 72.21 111.172 -176.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 7.2 m-90 -101.95 -39.03 7.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.33 -0.85 . . . . 74.02 111.381 -172.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.76 6.48 46.41 Favored Glycine 0 N--CA 1.477 1.379 0 CA-C-N 116.619 -0.264 . . . . 73.34 112.815 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -135.95 138.08 41.97 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.027 0.931 . . . . 71.42 109.509 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.7 p -90.27 93.79 9.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.645 0.778 . . . . 74.31 109.548 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 37' ' ' TYR . 62.3 m-85 -81.48 145.46 30.72 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.295 0.638 . . . . 75.23 110.439 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.7 p-10 -70.65 118.89 14.01 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 109.333 -0.617 . . . . 73.52 109.333 176.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 6' ' ' LEU . 15.4 m -103.42 126.9 57.78 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-O 121.627 0.727 . . . . 60.11 109.688 -174.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -122.63 -178.14 3.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.989 1.316 . . . . 71.12 109.884 -172.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' HB3' HD11 ' A' ' 29' ' ' ILE . 63.8 m-85 -121.5 142.23 50.26 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.212 0.529 . . . . 64.52 111.614 -176.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.617 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 34.5 ttm180 -119.95 129.4 54.3 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.889 1.276 . . . . 74.04 108.302 172.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -119.75 98.99 6.37 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 108.31 -0.996 . . . . 61.24 108.31 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 t -141.0 135.32 31.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.971 0.508 . . . . 75.21 110.148 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 63.1 30.21 16.16 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 124.536 1.135 . . . . 72.44 111.306 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.05 6.82 69.31 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.721 -0.672 . . . . 62.3 113.776 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -104.9 155.92 18.49 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.909 0.884 . . . . 73.03 110.222 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.503 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.1 tp -115.23 142.08 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 123.458 0.703 . . . . 74.3 109.29 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.617 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 73.8 m-85 -135.87 135.47 39.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.343 1.057 . . . . 73.21 108.701 -175.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 39.3 tp -93.25 107.18 19.04 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.171 0.441 . . . . 62.01 109.928 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -87.55 98.22 11.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.792 0.837 . . . . 75.1 112.097 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.606 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 60.8 t -73.13 103.85 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 N-CA-C 108.353 -0.98 . . . . 73.33 108.353 169.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.1 mmt -71.51 167.31 19.95 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.059 0.544 . . . . 74.43 111.112 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.7 p90 -78.96 -18.2 54.15 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.76 0.824 . . . . 71.45 111.827 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -85.31 146.22 27.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.965 0.506 . . . . 61.24 109.661 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 18' ' ' TYR . 11.7 p90 -138.3 159.44 42.04 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.191 0.996 . . . . 63.31 109.409 -177.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.539 HD21 ' HG3' ' A' ' 47' ' ' GLU . 59.4 tp -57.85 -25.25 60.45 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.061 0.945 . . . . 64.23 112.818 -172.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -81.09 29.5 0.34 Allowed 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 123.201 0.6 . . . . 74.54 112.321 -174.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -100.3 155.37 17.82 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.237 1.015 . . . . 54.2 109.527 168.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.82 -38.83 53.15 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 123.525 0.73 . . . . 63.14 110.947 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.2 m -111.93 76.03 0.95 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.661 0.785 . . . . 74.44 109.179 174.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.42 ' HZ ' ' HB3' ' A' ' 19' ' ' ASP . 31.1 t80 -93.99 135.09 25.08 Favored Pre-proline 0 CA--C 1.555 1.146 0 N-CA-C 108.92 -0.77 . . . . 64.42 108.92 176.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 43' ' ' PHE . 8.8 Cg_endo -47.12 -34.23 17.0 Favored 'Trans proline' 0 C--N 1.385 2.497 0 C-N-CA 124.504 3.47 . . . . 72.25 114.936 -177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -116.21 152.28 34.06 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.234 0.614 . . . . 52.41 109.82 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -74.43 165.14 25.7 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.069 -0.345 . . . . 63.23 110.069 170.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.539 ' HG3' HD21 ' A' ' 38' ' ' LEU . 38.4 tt0 -57.24 -50.01 74.23 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.823 0.849 . . . . 74.53 112.767 -174.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 m -66.46 -40.43 89.38 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.456 0.472 . . . . 74.04 110.669 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -64.6 -42.58 95.48 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.428 -0.805 . . . . 72.4 110.49 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' HE1' ' HA ' ' A' ' 19' ' ' ASP . 43.1 t80 -66.51 -43.82 84.23 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 114.49 -1.232 . . . . 74.34 111.326 -178.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -64.01 -42.77 97.04 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.144 0.578 . . . . 72.55 110.981 -176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.81 -23.67 58.52 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.339 -0.846 . . . . 65.21 110.833 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -74.36 -32.69 62.87 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.867 0.467 . . . . 61.42 110.325 173.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 7' ' ' ARG . 85.9 mt -64.1 -36.99 85.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.882 0.473 . . . . 65.21 110.026 173.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -71.58 -30.57 65.98 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.118 -0.946 . . . . 75.2 110.675 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.1 t -68.85 -43.98 74.33 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.493 0.717 . . . . 54.02 110.479 173.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG11 HG23 ' A' ' 20' ' ' VAL . 52.9 t -64.53 -45.72 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.419 0.688 . . . . 73.33 110.29 177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -67.7 -27.5 66.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.809 0.844 . . . . 72.25 111.403 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -67.32 -41.08 85.89 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.479 -0.782 . . . . 73.23 110.219 171.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -64.75 -39.79 94.21 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 122.734 0.413 . . . . 74.21 111.372 174.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 89.8 mt -61.49 -38.38 87.09 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.812 -0.631 . . . . 54.13 110.397 178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -75.52 -37.63 59.96 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.965 0.506 . . . . 71.53 110.695 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.37 68.44 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.622 0.769 . . . . 74.51 112.168 -174.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.1 mt -98.6 -26.09 14.51 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.734 0.813 . . . . 75.13 110.391 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 3.47 56.99 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 115.837 -0.62 . . . . 74.13 113.182 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' VAL . . . -82.17 5.77 70.52 Favored Glycine 0 C--N 1.349 1.305 0 CA-C-O 119.189 -0.784 . . . . 60.13 114.463 -177.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.69 -47.86 71.08 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 117.667 0.733 . . . . 61.25 111.977 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.0 t -61.82 -34.83 64.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 CA-C-N 115.785 -0.643 . . . . 61.04 110.409 175.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.88 -36.77 85.43 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.24 0.616 . . . . 71.21 111.365 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.558 ' HA ' HG21 ' A' ' 89' ' ' ILE . 90.4 t -67.59 -51.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.294 0.638 . . . . 51.41 110.69 176.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -59.47 -48.15 82.77 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 114.883 -1.053 . . . . 55.43 111.378 -176.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.1 m -63.97 -44.54 92.41 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.745 0.818 . . . . 74.33 111.428 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -63.41 -49.99 71.58 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.237 -0.438 . . . . 74.12 110.57 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -62.65 -31.82 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 123.34 0.656 . . . . 74.53 111.469 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.5 m -67.23 -36.64 82.09 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.868 0.467 . . . . 52.22 111.408 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -84.59 -57.69 3.03 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.168 0.587 . . . . 62.13 111.889 -177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.7 t -58.03 151.7 18.07 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.937 0.895 . . . . 75.44 111.785 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -129.3 20.25 5.77 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.889 0.876 . . . . 62.4 109.127 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.48 143.86 36.27 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.782 0.833 . . . . 74.11 110.777 -178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 -114.52 136.69 22.41 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 123.961 0.904 . . . . 73.14 110.813 -177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -63.01 125.4 15.8 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.229 2.619 . . . . 60.45 113.308 174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HB3' ' HB2' ' A' ' 85' ' ' LYS . 70.4 ttt180 -127.73 158.21 38.26 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 125.309 1.444 . . . . 75.13 108.887 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.53 104.84 0.37 Allowed 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 118.66 0.664 . . . . 72.34 109.617 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.39 -33.59 5.6 Favored Glycine 0 N--CA 1.473 1.127 0 N-CA-C 111.749 -0.54 . . . . 71.42 111.749 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 82' ' ' ARG . 5.9 mptp? -103.57 112.06 24.8 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 123.581 0.752 . . . . 73.45 110.183 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.4 38.0 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.517 0.727 . . . . 72.21 109.188 175.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.606 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 40.3 t -80.2 89.36 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 N-CA-C 108.414 -0.958 . . . . 53.31 108.414 177.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.7 t -77.48 102.68 7.01 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.083 -1.08 . . . . 60.0 108.083 175.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.558 HG21 ' HA ' ' A' ' 70' ' ' VAL . 71.8 mt -82.89 110.4 22.74 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 124.071 0.948 . . . . 73.5 109.165 -179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.3 113.08 3.68 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 121.789 1.659 . . . . 72.15 111.469 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.402 HD12 HG23 ' A' ' 29' ' ' ILE . 26.1 mt -89.01 93.09 9.48 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 107.937 -1.134 . . . . 60.43 107.937 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.94 84.26 3.48 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 114.947 -1.024 . . . . 63.32 109.492 -172.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.633 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 95.2 mt -114.01 75.88 0.95 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 114.805 -1.089 . . . . 74.42 111.113 -170.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.31 -91.05 0.93 Allowed Glycine 0 C--N 1.341 0.828 0 N-CA-C 110.835 -0.906 . . . . 73.23 110.835 169.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -68.71 -32.68 72.65 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.137 0.575 . . . . 73.21 111.232 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -70.41 -24.94 63.01 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 116.591 -0.277 . . . . 75.4 111.702 -173.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.633 ' HB2' ' HB3' ' A' ' 93' ' ' LEU . . . -77.84 -35.47 51.12 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.172 0.51 . . . . 74.45 110.331 168.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -74.89 -9.06 58.18 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.768 0.827 . . . . 63.03 112.383 -176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.36 -43.46 98.76 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.921 0.488 . . . . 71.11 111.851 177.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 23.6 p-90 -95.11 -2.43 50.0 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.639 -0.71 . . . . 72.52 111.745 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.6 mp -101.57 110.96 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 N-CA-C 108.171 -1.048 . . . . 71.33 108.171 168.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.2 mm -106.28 92.64 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.546 0.738 . . . . 54.41 109.24 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.2 mt -78.01 104.5 8.61 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.549 0.74 . . . . 72.34 110.386 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.256 1.4 0 C-N-CA 124.053 0.941 . . . . 64.04 109.355 178.796 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 ttm . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 109.111 -0.7 . . . . 74.14 109.111 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.413 HG22 ' HG2' ' A' ' 5' ' ' GLU . 9.8 t -91.03 162.53 14.67 Favored 'General case' 0 C--O 1.247 0.959 0 N-CA-C 109.637 -0.505 . . . . 71.41 109.637 168.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.57 -18.75 59.38 Favored Glycine 0 C--N 1.342 0.876 0 CA-C-N 115.62 -0.718 . . . . 74.22 113.902 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.92 -36.39 69.94 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.34 0.656 . . . . 72.53 110.386 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HG2' HG22 ' A' ' 2' ' ' THR . 12.9 mm-40 -66.4 -48.67 69.31 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-O 121.22 0.534 . . . . 62.05 110.249 177.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.686 HD21 HG21 ' A' ' 20' ' ' VAL . 24.7 tp -65.6 -39.46 91.57 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 114.389 -1.278 . . . . 72.41 110.585 -177.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.13 -53.18 61.0 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.102 0.961 . . . . 62.4 109.929 173.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.96 83.96 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.898 -1.046 . . . . 64.22 109.829 -176.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.39 -36.29 83.66 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.525 0.73 . . . . 55.32 111.414 -176.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.0 mt -77.93 -31.78 51.2 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.188 0.595 . . . . 55.05 110.334 178.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.56 -25.41 50.06 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.629 0.772 . . . . 73.24 111.465 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.31 -46.31 16.37 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.896 0.878 . . . . 74.25 108.87 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -74.41 -60.33 2.32 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.01 -0.996 . . . . 71.44 111.847 -177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -105.81 -24.01 12.58 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.153 0.581 . . . . 73.52 112.031 -170.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.43 17.72 70.55 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 113.37 0.108 . . . . 70.41 113.37 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HB2' ' CE2' ' A' ' 18' ' ' TYR . 86.4 m-85 -135.48 141.95 45.42 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.747 0.819 . . . . 73.42 109.688 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 p -83.76 73.45 10.28 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.061 -0.972 . . . . 61.51 110.398 -177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 16' ' ' TYR . 71.1 m-85 -71.31 156.8 39.1 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.365 0.666 . . . . 73.24 112.574 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -97.54 126.17 42.67 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.426 -0.953 . . . . 71.32 108.426 175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.686 HG21 HD21 ' A' ' 6' ' ' LEU . 30.8 m -105.28 135.57 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 123.294 0.637 . . . . 61.43 109.438 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.45 128.28 37.11 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.67 0.388 . . . . 75.15 110.853 -173.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 29' ' ' ILE . 47.4 m-85 -67.69 149.21 50.3 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.2 0.6 . . . . 72.24 111.212 172.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -159.62 122.66 3.57 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.522 -0.763 . . . . 73.11 109.601 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -92.61 104.52 16.8 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 108.438 -0.949 . . . . 71.4 108.438 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -142.02 140.27 32.59 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.569 0.748 . . . . 45.42 109.631 -175.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 65.13 16.71 10.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 124.541 1.136 . . . . 73.45 112.193 -176.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.27 -14.42 62.37 Favored Glycine 0 C--N 1.349 1.275 0 C-N-CA 123.762 0.696 . . . . 40.52 112.546 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 51.4 mttm -108.55 162.85 13.75 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.731 0.813 . . . . 75.25 110.918 -175.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.56 HD11 ' HB3' ' A' ' 22' ' ' PHE . 10.4 tp -92.29 135.59 27.0 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.226 0 N-CA-C 109.126 -0.694 . . . . 71.55 109.126 171.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 28' ' ' LYS . 66.5 m-85 -130.43 145.92 51.9 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.506 1.122 . . . . 70.34 108.797 -179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.8 tp -106.63 97.65 7.42 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.038 -0.727 . . . . 74.4 109.038 174.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -87.97 109.46 19.83 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.889 0.376 . . . . 71.22 110.604 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.626 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 47.4 t -68.92 107.95 1.53 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.586 0 CA-C-N 115.323 -0.853 . . . . 70.01 109.149 173.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.4 mmt -66.98 155.55 38.3 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.454 0.702 . . . . 54.34 111.413 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.2 p90 -70.54 -9.59 57.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.904 1.282 . . . . 74.03 111.603 171.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -75.82 128.43 35.13 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.136 0.974 . . . . 74.02 109.569 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -138.01 153.24 49.41 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.795 0.838 . . . . 72.22 110.063 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.1 tp -65.25 -17.68 64.7 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.7 0.8 . . . . 73.54 112.704 -168.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.72 -29.09 70.35 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.491 0.716 . . . . 75.33 111.487 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -84.2 139.67 32.23 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.032 0.533 . . . . 63.4 110.133 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.52 3.62 35.68 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.041 0.936 . . . . 75.02 111.783 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 m -102.56 17.2 24.27 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.579 0.752 . . . . 53.51 111.255 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -67.24 134.06 93.39 Favored Pre-proline 0 CA--C 1.562 1.433 0 C-N-CA 123.838 0.855 . . . . 75.11 110.72 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -52.78 -36.98 75.56 Favored 'Trans proline' 0 C--N 1.384 2.416 0 C-N-CA 123.842 3.028 . . . . 74.12 114.899 -175.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -112.14 176.91 4.82 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 121.511 0.672 . . . . 74.2 111.065 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -84.09 -175.17 5.68 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 114.893 -1.049 . . . . 60.44 109.927 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.62 -59.9 4.02 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.113 0.965 . . . . 72.02 111.208 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.7 m -64.51 -42.17 95.97 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.43 0.692 . . . . 62.12 110.191 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -57.2 -39.73 75.98 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.646 0.778 . . . . 73.34 111.758 176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CZ ' HD11 ' A' ' 54' ' ' LEU . 19.7 t80 -65.48 -47.18 76.96 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.396 0.678 . . . . 72.31 111.366 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -66.69 -35.56 80.42 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.975 0.416 . . . . 72.53 110.844 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -77.66 -23.36 49.65 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.613 0.765 . . . . 54.14 111.098 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -65.24 -45.9 82.77 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 109.238 -0.653 . . . . 53.35 109.238 170.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' CZ ' ' A' ' 50' ' ' TYR . 95.0 mt -61.11 -39.71 91.04 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 123.76 0.662 . . . . 73.35 110.449 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -70.35 -32.41 70.1 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 124.153 0.908 . . . . 72.21 111.151 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 t -72.87 -41.55 64.6 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.545 -0.752 . . . . 75.02 110.352 178.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.13 -49.34 83.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 115.402 -0.817 . . . . 71.53 110.003 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.43 -24.74 67.27 Favored 'General case' 0 C--O 1.245 0.855 0 C-N-CA 124.301 1.04 . . . . 63.51 112.059 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -62.81 -49.46 74.83 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.09 0.956 . . . . 73.0 109.988 171.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -72.47 -26.35 61.78 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.318 -0.401 . . . . 45.23 112.003 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.16 -40.16 95.54 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 110.077 -0.342 . . . . 73.33 110.077 175.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -69.13 -50.08 51.23 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.755 -0.657 . . . . 73.0 109.897 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.82 -50.49 73.1 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.573 1.149 . . . . 73.11 113.058 -172.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.17 -14.22 53.88 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.657 -0.701 . . . . 54.54 111.571 -175.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.52 30.82 39.06 Favored Glycine 0 C--N 1.354 1.539 0 O-C-N 123.417 0.448 . . . . 71.42 112.715 -178.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -108.56 12.04 35.84 Favored Glycine 0 C--N 1.349 1.281 0 CA-C-O 119.692 -0.504 . . . . 72.02 113.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.87 -47.32 66.19 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.085 0.554 . . . . 52.11 111.652 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -64.95 -31.09 52.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 115.343 -0.844 . . . . 55.34 110.177 177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.477 ' NE2' ' HB3' ' A' ' 92' ' ' ASP . 14.5 mm-40 -63.45 -38.4 90.98 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.959 0.504 . . . . 74.44 110.948 177.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.402 ' HA ' HG21 ' A' ' 89' ' ' ILE . 95.6 t -70.96 -47.25 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.544 0.738 . . . . 71.32 110.981 178.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.34 -43.36 99.0 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.129 0.572 . . . . 62.13 111.23 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.6 m -63.87 -48.47 76.56 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.508 0.723 . . . . 62.44 110.599 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.437 ' CD2' HG12 ' A' ' 89' ' ' ILE . 73.1 t80 -66.72 -53.93 28.3 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.976 -0.556 . . . . 74.42 111.025 -174.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 mt -57.33 -40.42 73.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.481 0.712 . . . . 75.52 111.108 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -69.91 -52.03 28.06 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 122.424 0.29 . . . . 62.14 111.688 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -73.94 -20.68 60.3 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 112.954 0.724 . . . . 72.13 112.954 -174.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -79.92 178.01 8.51 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.644 -0.502 . . . . 71.41 109.644 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -149.77 21.88 0.9 Allowed 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.597 0.759 . . . . 71.13 109.058 172.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -85.85 128.64 34.87 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 115.669 -0.696 . . . . 61.23 109.928 -177.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -95.42 135.39 23.26 Favored Pre-proline 0 C--O 1.241 0.648 0 O-C-N 124.174 0.922 . . . . 72.11 109.366 -177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.28 119.29 6.29 Favored 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 122.455 2.103 . . . . 73.21 110.317 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.446 ' HB3' ' HB3' ' A' ' 85' ' ' LYS . 74.3 ttt180 -124.36 163.71 21.16 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.175 0.99 . . . . 71.13 108.604 -176.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.24 111.59 1.26 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.805 0.442 . . . . 54.4 111.061 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.11 5.26 83.35 Favored Glycine 0 N--CA 1.478 1.492 0 O-C-N 123.325 0.391 . . . . 71.42 113.261 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 82' ' ' ARG . 62.8 tttm -129.17 103.61 7.07 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.774 1.23 . . . . 72.01 109.722 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.4 159.66 15.86 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 122.899 0.479 . . . . 62.33 111.021 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.626 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 57.9 t -98.66 90.35 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.717 -1.216 . . . . 71.24 107.717 171.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -80.63 103.52 10.54 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 123.454 0.702 . . . . 52.34 109.613 -173.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.437 HG12 ' CD2' ' A' ' 73' ' ' PHE . 69.0 mt -81.41 116.6 63.88 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.174 0.99 . . . . 65.1 109.632 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.99 113.5 3.8 Favored 'Trans proline' 0 C--N 1.37 1.69 0 C-N-CA 121.919 1.746 . . . . 74.41 111.287 175.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.17 93.32 9.0 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 107.611 -1.255 . . . . 71.31 107.611 171.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.477 ' HB3' ' NE2' ' A' ' 69' ' ' GLN . 32.0 t70 -68.64 86.68 0.32 Allowed 'General case' 0 C--O 1.243 0.711 0 CA-C-N 114.963 -1.017 . . . . 62.34 109.911 -176.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 85.4 mt -124.37 51.17 1.61 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.5 1.12 . . . . 71.21 109.0 -178.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -82.52 -63.65 1.76 Allowed Glycine 0 C--N 1.339 0.745 0 N-CA-C 111.196 -0.762 . . . . 71.32 111.196 171.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -92.51 -27.96 17.1 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.516 0.726 . . . . 72.44 109.772 175.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -71.04 -6.65 40.66 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.787 0.835 . . . . 72.43 111.474 170.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 93' ' ' LEU . . . -55.96 -18.11 8.39 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.342 0.657 . . . . 61.31 112.166 170.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.8 m -64.61 -11.26 33.15 Favored 'General case' 0 CA--C 1.554 1.096 0 C-N-CA 124.039 0.936 . . . . 75.11 113.486 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -62.92 -45.89 90.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.039 0.536 . . . . 74.23 110.459 172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -104.12 -18.15 14.64 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.513 0.725 . . . . 71.33 112.355 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.37 97.71 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 107.214 -1.402 . . . . 74.21 107.214 166.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.3 mm -116.19 89.23 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.023 0.929 . . . . 70.01 108.947 177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.9 mt -104.05 58.21 0.72 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.443 -0.947 . . . . 65.45 108.443 173.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 CA--C 1.562 1.411 0 CA-C-N 114.08 -1.418 . . . . 73.14 111.3 -179.626 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 61.0 ttp . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.806 -0.442 . . . . 64.53 109.806 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.48 HG22 ' HG2' ' A' ' 5' ' ' GLU . 9.9 t -81.34 173.62 12.3 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.616 0.766 . . . . 74.12 109.392 171.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.67 60.18 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 120.067 -0.296 . . . . 63.34 113.687 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.13 -42.19 69.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.089 0.556 . . . . 74.25 109.783 176.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.531 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 34.4 mm-40 -72.39 -37.6 68.66 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.851 0.46 . . . . 71.34 110.688 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 50.3 tp -64.94 -36.87 85.77 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.069 -0.514 . . . . 73.31 110.436 176.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -59.2 -52.95 63.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.07 0.948 . . . . 62.54 110.14 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -65.83 -24.34 66.87 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.117 -0.947 . . . . 75.35 111.942 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.8 tp -67.34 -39.37 85.78 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.905 0.482 . . . . 73.34 109.993 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 6' ' ' LEU . 25.3 mt -78.08 -36.42 48.21 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.558 0.743 . . . . 74.35 110.124 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.73 -31.07 66.31 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.839 0.856 . . . . 75.51 112.23 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.26 -38.93 55.61 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.722 0.809 . . . . 74.51 109.996 177.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -80.01 -66.0 0.93 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.031 -0.531 . . . . 74.23 111.254 -173.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.451 ' CD1' ' HG2' ' A' ' 80' ' ' ARG . 5.2 m-90 -105.56 -4.09 21.59 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.401 -0.818 . . . . 55.51 111.848 -171.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.05 7.08 84.0 Favored Glycine 0 C--N 1.35 1.328 0 N-CA-C 114.008 0.363 . . . . 73.43 114.008 177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -141.69 145.73 35.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.166 0.986 . . . . 74.41 109.534 -172.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.8 p -90.36 90.84 8.22 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.721 0.809 . . . . 73.55 110.122 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -84.43 151.23 24.79 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.462 0.705 . . . . 73.01 111.87 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.07 137.26 51.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.9 -0.778 . . . . 54.23 108.9 170.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.503 HG23 HG21 ' A' ' 57' ' ' VAL . 6.9 m -122.98 125.62 72.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.443 -0.947 . . . . 73.3 108.443 175.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -126.79 133.9 50.7 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.184 0.594 . . . . 74.43 109.727 -176.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' HB3' HD11 ' A' ' 29' ' ' ILE . 69.0 m-85 -66.94 142.61 57.21 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.569 0.748 . . . . 74.53 110.55 173.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -130.23 106.03 8.31 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 108.814 -0.81 . . . . 73.12 108.814 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -94.5 97.69 10.33 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.154 -1.054 . . . . 75.33 108.154 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 t -142.69 140.76 31.65 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.985 0.914 . . . . 53.45 109.346 -176.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 65.51 21.12 11.78 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.405 1.482 . . . . 72.35 110.847 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.32 0.26 86.11 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 116.377 -0.374 . . . . 24.41 113.376 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -106.04 179.84 4.15 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.212 1.005 . . . . 61.25 110.371 -177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 22' ' ' PHE . 7.0 tp -133.4 128.56 55.28 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 121.605 0.716 . . . . 70.43 110.656 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -129.78 124.8 34.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.486 1.114 . . . . 73.42 108.46 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.3 tp -89.89 98.14 11.6 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.564 -0.902 . . . . 64.41 108.564 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 88' ' ' SER . 72.2 mt-30 -88.15 112.77 23.09 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.047 0.539 . . . . 71.32 111.288 -175.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 87' ' ' VAL . 48.8 t -73.8 114.67 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-N 115.063 -0.972 . . . . 72.12 109.336 174.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 32.8 mmt -69.69 161.83 28.94 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.92 0.888 . . . . 64.44 111.284 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 37.9 p90 -82.07 -9.19 59.62 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.947 1.299 . . . . 75.22 110.159 172.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -83.0 116.83 22.43 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.78 0.832 . . . . 61.52 109.668 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -113.79 157.87 21.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.266 0.626 . . . . 74.53 110.357 175.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.1 tp -60.26 -30.85 69.71 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.074 0.95 . . . . 73.14 112.905 -170.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.46 -16.33 63.86 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.501 0.72 . . . . 71.22 112.124 -176.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -72.49 138.06 46.76 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.135 0.574 . . . . 63.33 109.756 173.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.07 -25.81 63.7 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.02 0.928 . . . . 72.34 111.728 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.8 m -90.25 10.54 24.33 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.826 0.85 . . . . 63.23 112.572 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -63.81 129.07 93.59 Favored Pre-proline 0 CA--C 1.562 1.44 0 CA-C-O 118.936 -0.554 . . . . 74.31 110.015 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -63.91 -31.68 66.94 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.934 2.423 . . . . 74.12 114.23 -169.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.7 mtm -104.58 157.67 17.02 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.159 0.583 . . . . 73.15 110.733 -177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.614 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 52.0 m-80 -74.22 168.37 19.73 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.178 -0.465 . . . . 75.44 109.834 170.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.03 -40.76 97.03 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.842 0.857 . . . . 72.3 111.411 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 m -63.39 -48.74 76.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.727 0.811 . . . . 73.24 109.99 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.614 ' HG2' ' HB2' ' A' ' 46' ' ' ASN . 20.2 mm-40 -62.41 -37.52 86.13 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.552 0.741 . . . . 71.01 110.73 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -68.29 -41.33 81.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.916 0.886 . . . . 73.44 111.334 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 62.9 tp60 -65.39 -43.63 90.07 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.012 0.434 . . . . 63.13 110.226 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.32 -29.06 68.53 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 115.235 -0.893 . . . . 75.34 110.717 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -68.46 -40.72 80.96 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.004 0.922 . . . . 73.25 110.072 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.52 -43.32 99.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.751 0.657 . . . . 75.1 110.363 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.56 -27.57 58.66 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.583 -0.735 . . . . 53.23 110.771 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.2 t -72.56 -36.81 68.31 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.054 0.542 . . . . 62.2 110.913 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.503 HG21 HG23 ' A' ' 20' ' ' VAL . 40.9 t -67.27 -51.71 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 N-CA-C 109.237 -0.653 . . . . 71.43 109.237 173.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.64 -22.23 65.09 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.979 0.911 . . . . 72.43 112.121 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -66.52 -45.67 78.74 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.367 1.067 . . . . 71.42 110.656 174.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -75.52 -27.41 58.73 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.899 0.48 . . . . 72.41 111.014 175.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 91.9 mt -71.04 -29.79 65.8 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.087 0.47 . . . . 71.11 110.001 174.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -75.01 -45.84 39.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.921 0.888 . . . . 75.31 109.634 173.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.84 -51.43 62.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.559 0.744 . . . . 72.32 111.782 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -83.12 -11.13 58.25 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.118 0.967 . . . . 71.54 112.117 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.97 17.31 79.96 Favored Glycine 0 C--N 1.351 1.389 0 O-C-N 123.376 0.422 . . . . 51.53 112.543 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.58 3.62 86.88 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.676 -0.513 . . . . 53.35 113.994 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.03 84.23 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 117.274 0.537 . . . . 72.44 111.514 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.7 t -58.74 -37.15 64.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.071 0.857 . . . . 72.23 110.064 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.59 -45.72 91.6 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.62 0.768 . . . . 64.31 112.46 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.475 ' HA ' HG21 ' A' ' 89' ' ' ILE . 67.2 t -65.19 -46.88 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 123.675 0.79 . . . . 61.52 110.328 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.75 -41.27 92.32 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.797 -1.092 . . . . 73.15 111.498 -176.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 99.1 m -68.25 -45.64 72.63 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.298 1.039 . . . . 62.41 110.416 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -62.13 -55.88 24.43 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.22 -0.9 . . . . 70.54 110.115 -177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.3 mt -59.89 -32.85 50.82 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.453 0 C-N-CA 124.214 1.006 . . . . 74.42 111.835 -177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.5 m -68.88 -42.81 76.49 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.268 0.627 . . . . 74.3 111.238 177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -82.05 -39.99 22.69 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 123.366 0.666 . . . . 72.13 112.751 -174.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 t -77.72 160.23 28.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.071 0.548 . . . . 71.1 109.689 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -125.16 12.7 8.3 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.599 0.759 . . . . 63.4 109.943 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.65 138.05 46.46 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.045 0.538 . . . . 75.4 110.869 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HG2' ' CD1' ' A' ' 14' ' ' TRP . 89.8 mtt180 -107.18 142.96 26.17 Favored Pre-proline 0 N--CA 1.474 0.756 0 CA-C-N 114.976 -1.011 . . . . 73.53 109.869 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.9 118.17 5.18 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.296 1.997 . . . . 75.43 111.12 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.647 ' HB2' ' HB3' ' A' ' 85' ' ' LYS . 36.0 mmt180 -97.24 177.95 5.4 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.533 1.133 . . . . 72.31 111.242 -174.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 50.7 tp -81.31 92.42 6.37 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.823 -1.08 . . . . 73.12 109.577 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.74 -34.4 5.68 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.43 -0.805 . . . . 51.1 111.839 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 82' ' ' ARG . 23.5 tptm -95.27 104.44 16.33 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.385 -0.598 . . . . 64.31 109.385 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.31 148.7 27.21 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.443 0.697 . . . . 55.53 110.383 175.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' A' ' 33' ' ' VAL . 63.2 t -74.84 89.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 108.293 -1.003 . . . . 54.12 108.293 172.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.403 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 32.0 t -78.12 94.48 4.71 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.465 -0.789 . . . . 72.44 108.964 -177.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.475 HG21 ' HA ' ' A' ' 70' ' ' VAL . 64.8 mt -79.35 108.31 8.31 Favored Pre-proline 0 N--CA 1.476 0.843 0 C-N-CA 123.848 0.859 . . . . 73.52 109.568 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.5 115.22 4.26 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 121.704 1.603 . . . . 61.24 110.839 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.524 ' HB2' HG23 ' A' ' 29' ' ' ILE . 64.7 mt -83.55 95.96 8.48 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 108.748 -0.834 . . . . 71.04 108.748 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -75.11 90.82 2.53 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.64 0.733 . . . . 71.43 109.076 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.497 ' HA ' ' HB2' ' A' ' 96' ' ' ARG . 58.4 mt -93.38 49.59 1.41 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.19 -0.914 . . . . 73.11 109.694 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.12 -88.37 0.1 OUTLIER Glycine 0 C--N 1.351 1.416 0 N-CA-C 111.221 -0.752 . . . . 64.41 111.221 174.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -73.24 -22.81 60.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.357 0.663 . . . . 70.45 110.406 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.497 ' HB2' ' HA ' ' A' ' 93' ' ' LEU . 27.3 mmm180 -67.73 -19.12 65.11 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.115 0.566 . . . . 71.41 112.101 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.05 -31.69 69.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.725 0.41 . . . . 75.03 111.569 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.578 ' HA ' ' HB ' ' A' ' 101' ' ' ILE . 10.7 t -76.42 -8.37 57.0 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 112.331 0.493 . . . . 74.24 112.331 -177.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -67.65 -33.08 74.24 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.042 0.448 . . . . 65.41 110.877 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 25.7 p-90 -103.74 -0.64 29.12 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.643 0.608 . . . . 71.4 112.643 175.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.578 ' HB ' ' HA ' ' A' ' 98' ' ' SER . 1.7 mp -96.77 109.02 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.066 -1.087 . . . . 75.25 108.066 169.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.32 108.49 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 C-N-CA 124.075 0.95 . . . . 60.11 109.08 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -118.09 70.02 0.8 Allowed 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 107.52 -1.289 . . . . 73.24 107.52 170.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 124.048 0.939 . . . . 75.15 109.832 -174.614 . . . . . . . . 0 0 . 1 stop_ save_