data_3usn_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 3usn _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.553 ' N ' ' HD2' ' A' ' 155' ' ' ASP . 8.6 p90 . . . . . 0 CA--C 1.565 1.547 0 CA-C-O 121.92 0.867 . . . . 0.0 113.094 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -140.1 148.06 41.15 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 123.646 0.779 . . . . 0.0 111.469 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.9 p -118.73 154.97 31.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.798 -1.189 . . . . 0.0 108.861 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -58.63 153.61 39.87 Favored Pre-proline 0 CA--C 1.608 3.176 0 C-N-CA 126.035 1.734 . . . . 0.0 110.208 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -50.39 122.71 9.9 Favored 'Trans proline' 0 C--N 1.367 1.505 0 CA-C-N 123.088 2.139 . . . . 0.0 116.787 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.14 -13.51 67.2 Favored Glycine 0 CA--C 1.553 2.42 0 N-CA-C 118.517 2.167 . . . . 0.0 118.517 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.355 15.3 mt 72.44 65.75 0.35 Allowed Pre-proline 0 CA--C 1.578 2.054 0 C-N-CA 126.147 1.779 . . . . 0.0 112.471 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -81.31 113.09 2.6 Favored 'Trans proline' 0 C--N 1.393 2.89 0 C-N-CA 123.855 3.037 . . . . 0.0 110.758 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -130.68 159.82 36.11 Favored 'General case' 0 C--O 1.26 1.634 0 C-N-CA 124.165 0.986 . . . . 0.0 111.137 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -86.81 112.45 21.73 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -79.87 67.36 5.64 Favored 'General case' 0 CA--C 1.581 2.139 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.153 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -176.37 130.55 0.21 Allowed 'General case' 0 CA--C 1.607 3.139 0 C-N-CA 126.289 1.836 . . . . 0.0 107.392 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 p -77.37 -54.56 6.31 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 119.319 -2.113 . . . . 0.0 114.634 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -77.72 116.66 18.43 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-O 112.942 -3.409 . . . . 0.0 113.979 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.622 ' H ' ' C ' ' A' ' 49' ' ' THR 0.528 54.2 mt -89.33 177.15 6.67 Favored 'General case' 0 C--N 1.381 1.935 1 CA-C-N 126.106 4.048 . . . . 0.0 119.743 -178.066 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -144.28 108.06 4.69 Favored 'General case' 0 N--CA 1.514 2.768 0 N-CA-C 104.646 -2.353 . . . . 0.0 104.646 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE1' HD12 ' A' ' 39' ' ' LEU . 2.6 p90 -115.44 150.83 35.81 Favored 'General case' 0 N--CA 1.517 2.908 0 O-C-N 120.733 -1.229 . . . . 0.0 113.94 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.624 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 76.9 ttt180 -124.67 132.52 53.4 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.9 mt -89.1 125.14 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.373 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.307 96.2 t -80.34 -66.05 0.73 Allowed 'Isoleucine or valine' 1 N--CA 1.545 4.315 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.633 -178.678 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.253 12.5 p-10 -147.39 163.38 36.66 Favored 'General case' 0 CA--C 1.564 1.494 0 O-C-N 119.153 -2.217 . . . . 0.0 111.085 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -98.89 139.08 35.09 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.729 1.212 . . . . 0.0 109.097 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 t -77.7 140.62 63.64 Favored Pre-proline 0 N--CA 1.521 3.097 0 CA-C-O 115.122 -2.37 . . . . 0.0 113.252 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -58.66 -22.56 61.3 Favored 'Trans proline' 0 C--N 1.392 2.866 0 C-N-CA 124.612 3.541 . . . . 0.0 120.699 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -75.87 -12.12 60.1 Favored 'General case' 0 N--CA 1.527 3.414 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.5 mt -138.67 149.28 61.76 Favored Pre-proline 0 C--N 1.38 1.893 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.06 165.78 29.11 Favored 'Trans proline' 0 C--N 1.373 1.83 0 CA-C-N 122.38 1.886 . . . . 0.0 111.374 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -56.18 -47.16 78.83 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 117.951 -2.968 . . . . 0.0 118.352 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -63.54 -29.11 70.42 Favored 'General case' 0 N--CA 1.515 2.824 0 O-C-N 127.049 2.718 . . . . 0.0 115.496 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.23 -47.62 23.27 Favored 'General case' 0 CA--C 1.593 2.618 0 CA-C-N 123.864 3.029 . . . . 0.0 111.286 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 83.0 t -51.49 -40.61 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.042 0 C-N-CA 125.96 1.704 . . . . 0.0 111.405 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -79.79 -32.26 40.85 Favored 'General case' 0 CA--C 1.575 1.908 0 CA-C-O 116.023 -1.942 . . . . 0.0 112.784 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.4 m -59.75 -51.88 67.85 Favored 'General case' 0 N--CA 1.517 2.902 0 O-C-N 125.278 1.611 . . . . 0.0 108.745 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.381 . . -81.08 -21.92 39.61 Favored 'General case' 0 N--CA 1.521 3.1 0 CA-C-O 115.416 -2.23 . . . . 0.0 115.199 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 3.0 t -58.47 -47.19 88.91 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.675 0 CA-C-N 125.116 3.598 . . . . 0.0 103.037 169.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -55.32 -38.71 69.05 Favored 'General case' 0 CA--C 1.607 3.162 0 CA-C-O 112.73 -3.509 . . . . 0.0 110.894 171.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.33 -44.67 94.25 Favored 'General case' 0 CA--C 1.597 2.788 0 CA-C-N 122.708 2.504 . . . . 0.0 111.601 172.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.77 71.57 Favored 'General case' 1 N--CA 1.553 4.682 0 O-C-N 117.785 -3.072 . . . . 0.0 116.464 176.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD12 ' CE1' ' A' ' 17' ' ' TYR . 92.7 mt -62.46 -56.84 14.37 Favored 'General case' 0 N--CA 1.535 3.783 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -49.14 -41.95 37.84 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 112.83 -3.462 . . . . 0.0 108.262 162.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.48 ' N ' ' HD2' ' A' ' 40' ' ' LYS 0.484 54.3 t -37.83 -50.56 0.37 Allowed 'Isoleucine or valine' 1 C--N 1.434 4.261 0 CA-C-N 124.751 3.432 . . . . 0.0 111.965 -174.155 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . 0.395 66.1 m95 -64.76 -55.69 18.25 Favored 'General case' 0 CA--C 1.573 1.864 2 CA-C-N 105.107 -5.497 . . . . 0.0 112.163 179.627 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -54.95 -32.82 61.75 Favored 'General case' 0 CA--C 1.592 2.569 0 O-C-N 118.386 -2.696 . . . . 0.0 115.675 171.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -76.92 -32.16 57.18 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-N 120.075 1.307 . . . . 0.0 109.677 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 41' ' ' VAL 0.302 1.3 m -47.34 -84.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.531 3.597 0 CA-C-O 125.481 2.562 . . . . 0.0 113.281 172.596 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.458 ' H ' HG21 ' A' ' 45' ' ' VAL 0.272 30.0 p -120.53 -151.09 0.01 OUTLIER Pre-proline 0 CA--C 1.565 1.557 0 N-CA-C 101.789 -3.411 . . . . 0.0 101.789 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -85.43 46.25 1.73 Allowed 'Trans proline' 0 CA--C 1.603 3.943 0 CA-C-O 113.733 -2.695 . . . . 0.0 109.309 171.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -76.28 107.98 8.9 Favored 'General case' 0 C--N 1.383 2.05 1 CA-C-N 129.495 5.589 . . . . 0.0 114.548 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.622 ' C ' ' H ' ' A' ' 15' ' ' LEU 0.421 0.2 OUTLIER -79.83 -167.25 1.19 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 118.39 -2.694 . . . . 0.0 111.464 -177.505 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 179.4 126.24 0.07 Allowed 'General case' 0 C--O 1.258 1.549 0 C-N-CA 129.846 3.258 . . . . 0.0 112.843 -172.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 p -115.43 122.67 46.5 Favored 'General case' 0 N--CA 1.523 3.215 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.28 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.761 ' NE ' ' HH ' ' A' ' 54' ' ' TYR . 68.4 ttt180 -74.69 130.62 39.84 Favored 'General case' 1 N--CA 1.541 4.08 0 CA-C-N 121.088 1.767 . . . . 0.0 111.012 -176.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.5 mt -132.2 157.6 43.88 Favored 'General case' 0 CA--C 1.579 2.094 0 CA-C-O 125.221 2.439 . . . . 0.0 110.694 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.761 ' HH ' ' NE ' ' A' ' 52' ' ' ARG . 49.5 m-85 -127.2 -16.62 4.95 Favored 'General case' 0 CA--C 1.596 2.747 0 C-N-CA 128.295 2.638 . . . . 0.0 111.928 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -137.09 172.55 12.84 Favored 'General case' 0 CA--C 1.619 3.63 0 C-N-CA 124.892 1.277 . . . . 0.0 109.785 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.98 -167.49 52.71 Favored Glycine 1 N--CA 1.52 4.264 0 N-CA-C 118.085 1.994 . . . . 0.0 118.085 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -118.13 136.22 53.73 Favored 'General case' 0 CA--C 1.618 3.57 0 CA-C-N 111.425 -2.387 . . . . 0.0 112.767 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -170.9 100.17 0.22 Allowed 'General case' 0 C--N 1.299 -1.589 1 N-CA-C 99.839 -4.134 . . . . 0.0 99.839 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.285 18.0 t0 -63.99 61.21 0.02 OUTLIER 'General case' 0 N--CA 1.529 3.497 1 CA-C-O 129.752 4.596 . . . . 0.0 121.568 -174.797 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . 0.425 0.3 OUTLIER -167.64 75.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.89 1 CA-C-N 105.478 -5.328 . . . . 0.0 103.831 172.108 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.624 ' SD ' ' HD3' ' A' ' 18' ' ' ARG . 6.1 mmm -107.57 108.18 19.34 Favored 'General case' 0 C--O 1.271 2.226 2 N-CA-C 99.784 -4.154 . . . . 0.0 99.784 178.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.8 mt -72.09 108.81 3.8 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 O-C-N 119.184 -2.198 . . . . 0.0 108.489 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . 0.65 0.6 OUTLIER -128.62 -172.46 2.71 Favored 'General case' 0 CA--C 1.603 3.015 1 N-CA-C 131.582 7.623 . . . . 0.0 131.582 177.46 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' HA ' ' H ' ' A' ' 98' ' ' PHE . 83.0 m-85 -140.94 152.3 44.88 Favored 'General case' 0 N--CA 1.518 2.932 2 CA-C-N 104.749 -5.66 . . . . 0.0 122.273 -167.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.43 110.21 2.22 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 128.26 3.885 . . . . 0.0 114.373 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.259 18.4 m -76.09 86.63 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.592 2.576 0 CA-C-N 110.276 -3.147 . . . . 0.0 109.503 174.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . 0.356 20.3 mmt180 78.23 -61.81 0.37 Allowed 'General case' 0 N--CA 1.525 3.286 0 N-CA-C 115.907 1.818 . . . . 0.0 115.907 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -150.63 160.1 44.05 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 125.411 2.529 . . . . 0.0 110.811 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . 0.265 53.3 p-80 -145.33 -52.85 0.28 Allowed 'General case' 0 N--CA 1.508 2.447 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.649 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.54 71.2 0.04 OUTLIER Glycine 0 N--CA 1.497 2.721 0 CA-C-N 121.001 1.728 . . . . 0.0 115.245 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . 0.266 29.2 p-10 -145.55 -90.18 0.1 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -149.07 -38.32 0.16 Allowed 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -107.67 100.9 37.36 Favored Pre-proline 0 CA--C 1.58 2.115 0 CA-C-O 115.949 -1.977 . . . . 0.0 114.989 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -62.09 157.27 45.21 Favored 'Trans proline' 0 N--CA 1.504 2.112 0 C-N-CA 123.311 2.674 . . . . 0.0 114.856 174.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -103.4 155.68 18.31 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-O 123.976 1.846 . . . . 0.0 112.396 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -86.56 -26.11 24.68 Favored 'General case' 0 CA--C 1.594 2.655 0 CA-C-N 109.085 -3.689 . . . . 0.0 116.566 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.32 -122.3 7.3 Favored Glycine 0 CA--C 1.571 3.561 0 CA-C-O 113.776 -3.791 . . . . 0.0 107.754 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -67.62 146.47 73.6 Favored 'Trans proline' 0 C--O 1.262 1.694 1 CA-C-N 126.213 5.007 . . . . 0.0 118.511 174.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.27 160.44 5.96 Favored Glycine 1 CA--C 1.587 4.556 0 O-C-N 118.342 -2.724 . . . . 0.0 119.016 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . 0.296 47.6 m-80 62.14 -101.46 0.1 Allowed 'General case' 1 N--CA 1.565 5.283 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 177.472 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.56 120.69 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.59 0 C-N-CA 125.178 1.391 . . . . 0.0 111.549 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.64 -63.64 1.35 Allowed 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 102.776 -3.046 . . . . 0.0 102.776 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . 0.39 . . -144.17 176.81 9.05 Favored 'General case' 0 N--CA 1.437 -1.088 0 O-C-N 117.535 -3.228 . . . . 0.0 107.415 177.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . 0.295 0.3 OUTLIER -95.85 100.37 12.07 Favored 'General case' 1 C--O 1.313 4.407 2 N-CA-C 91.435 -7.246 . . . . 0.0 91.435 154.861 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.94 95.9 10.36 Favored 'General case' 0 CA--C 1.613 3.4 2 CA-C-N 106.057 -5.065 . . . . 0.0 98.944 -174.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -96.61 132.35 42.32 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 125.717 3.871 . . . . 0.0 117.225 -173.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.91 170.59 8.17 Favored Pre-proline 0 CA--C 1.575 1.909 1 N-CA-C 122.188 4.144 . . . . 0.0 122.188 -176.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -56.56 137.38 80.52 Favored 'Trans proline' 1 CA--C 1.619 4.758 0 CA-C-N 126.123 3.223 . . . . 0.0 117.646 -175.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 153.2 -164.52 30.97 Favored Glycine 0 CA--C 1.559 2.821 0 CA-C-N 112.518 -2.128 . . . . 0.0 113.461 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -90.44 135.67 2.17 Favored 'Trans proline' 0 CA--C 1.57 2.294 0 C-N-CA 123.072 2.515 . . . . 0.0 116.749 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.73 -102.87 0.3 Allowed Glycine 0 CA--C 1.576 3.893 0 O-C-N 119.399 -2.063 . . . . 0.0 117.943 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -37.12 37.45 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.709 0 O-C-N 120.933 -1.333 . . . . 0.0 110.92 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -76.98 112.07 13.21 Favored 'General case' 0 CA--C 1.594 2.665 0 CA-C-N 121.599 2.0 . . . . 0.0 109.93 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.79 -51.76 0.42 Allowed Glycine 1 N--CA 1.539 5.544 1 O-C-N 116.024 -4.173 . . . . 0.0 121.872 177.512 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . 0.471 45.0 m-20 -107.53 150.93 26.25 Favored 'General case' 0 C--O 1.26 1.649 1 CA-C-N 100.812 -7.694 . . . . 0.0 111.434 -169.506 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . 0.348 . . -88.38 165.89 14.63 Favored 'General case' 0 C--O 1.201 -1.494 1 O-C-N 132.02 5.825 . . . . 0.0 115.592 176.74 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -164.13 91.96 0.64 Allowed 'General case' 0 CA--C 1.579 2.062 0 O-C-N 128.229 3.455 . . . . 0.0 106.805 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' H ' ' HA ' ' A' ' 64' ' ' PHE 0.282 2.3 m-85 -74.01 169.1 18.18 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 126.314 2.959 . . . . 0.0 109.742 174.641 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 101' ' ' ASP 0.384 66.5 t0 -87.3 178.38 6.87 Favored 'General case' 0 CA--C 1.592 2.585 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 169.389 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -76.67 84.93 3.31 Favored 'General case' 1 N--CA 1.54 4.039 1 N-CA-C 93.822 -6.362 . . . . 0.0 93.822 155.343 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 99' ' ' ASP 0.319 15.7 t70 -80.37 -90.9 0.06 Allowed 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 118.587 2.81 . . . . 0.0 118.587 -166.189 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -122.32 -179.28 4.13 Favored 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 121.798 0.808 . . . . 0.0 112.177 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -89.03 92.9 9.41 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -63.25 129.07 38.71 Favored 'General case' 0 C--N 1.391 2.378 0 CA-C-O 125.131 2.396 . . . . 0.0 116.295 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 34.2 p -136.13 152.23 50.61 Favored 'General case' 0 CA--C 1.57 1.736 0 O-C-N 118.995 -2.316 . . . . 0.0 110.131 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.513 ' CD ' ' H ' ' A' ' 106' ' ' LYS 0.269 0.0 OUTLIER -71.15 -37.17 72.25 Favored 'General case' 0 CA--C 1.623 3.763 0 C-N-CA 128.155 2.582 . . . . 0.0 110.307 173.011 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -103.38 177.18 4.91 Favored 'General case' 0 CA--C 1.61 3.271 0 C-N-CA 126.119 1.768 . . . . 0.0 110.472 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.9 m -75.72 -19.22 59.23 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 p -42.01 -55.25 3.23 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 126.829 2.051 . . . . 0.0 115.465 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -90.84 -72.57 1.25 Allowed Glycine 0 C--O 1.2 -1.997 0 O-C-N 120.345 -1.472 . . . . 0.0 115.471 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.6 m -164.77 112.04 1.03 Allowed 'General case' 0 N--CA 1.484 1.241 0 O-C-N 119.974 -1.897 . . . . 0.0 108.345 171.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -67.34 115.92 7.52 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.322 32.6 tp -68.16 -29.39 68.26 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 115.234 -2.317 . . . . 0.0 115.821 176.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.45 -61.44 2.34 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 121.201 1.819 . . . . 0.0 113.198 173.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.57 -56.68 9.09 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.311 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . 0.296 86.2 t -61.53 -47.39 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.558 0 CA-C-O 113.845 -2.979 . . . . 0.0 112.986 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.67 -48.67 79.77 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 122.082 2.219 . . . . 0.0 110.621 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.42 83.48 Favored 'General case' 0 CA--C 1.595 2.707 0 CA-C-N 124.364 3.256 . . . . 0.0 111.89 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -74.92 -49.29 20.74 Favored 'General case' 0 CA--C 1.586 2.332 0 CA-C-N 122.388 2.358 . . . . 0.0 113.421 177.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.64 -41.44 79.4 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 116.182 -1.866 . . . . 0.0 113.665 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.22 -35.6 67.05 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.683 0 CA-C-N 120.872 1.669 . . . . 0.0 108.748 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -57.3 -45.28 92.95 Favored Glycine 1 CA--C 1.585 4.466 0 CA-C-N 118.089 0.404 . . . . 0.0 113.539 173.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -59.54 -43.63 93.44 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 115.25 -2.31 . . . . 0.0 107.517 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 12.9 m -66.47 -22.97 66.2 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 123.836 3.016 . . . . 0.0 117.126 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -3.77 42.95 Favored 'General case' 0 CA--C 1.585 2.32 0 N-CA-C 118.227 2.677 . . . . 0.0 118.227 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 134.77 -35.63 2.18 Favored Glycine 0 N--CA 1.506 3.316 0 N-CA-C 121.474 3.35 . . . . 0.0 121.474 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.67 133.94 36.4 Favored 'General case' 0 CA--C 1.552 1.058 0 O-C-N 120.785 -1.421 . . . . 0.0 114.61 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.283 30.4 t80 -96.08 -102.9 0.17 Allowed 'General case' 0 N--CA 1.503 2.208 0 CA-C-O 115.134 -2.365 . . . . 0.0 110.617 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.07 117.68 23.7 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 t -95.6 119.17 33.62 Favored 'General case' 0 C--O 1.267 1.981 0 C-N-CA 124.35 1.06 . . . . 0.0 111.076 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.37 79.94 9.25 Favored 'General case' 0 CA--C 1.579 2.086 0 CA-C-O 121.873 0.844 . . . . 0.0 111.688 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -139.9 -45.14 0.43 Allowed 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 67.1 p 104.2 -65.41 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.405 0 C-N-CA 126.988 2.115 . . . . 0.0 106.926 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . 0.299 3.1 pm0 -71.51 -20.37 62.06 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.91 7.8 0.63 Allowed 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . 0.255 63.8 tp 73.59 -55.56 0.67 Allowed 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 121.388 1.904 . . . . 0.0 114.863 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 72.1 mmm -71.87 40.23 0.07 Allowed 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 123.776 1.75 . . . . 0.0 115.566 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -87.64 136.13 33.26 Favored Pre-proline 0 N--CA 1.498 1.96 0 O-C-N 119.112 -2.242 . . . . 0.0 109.98 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -47.85 -28.94 10.63 Favored 'Trans proline' 0 CA--C 1.574 2.475 0 N-CA-C 121.114 3.467 . . . . 0.0 121.114 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.6 mt -121.53 140.08 52.67 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -79.22 120.19 23.37 Favored 'General case' 0 CA--C 1.583 2.215 0 CA-C-O 124.252 1.977 . . . . 0.0 108.875 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . 0.379 28.3 p-80 -90.49 -111.44 0.08 Allowed 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 116.856 -1.545 . . . . 0.0 114.785 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.8 m -172.79 84.48 0.06 Allowed 'General case' 0 C--O 1.254 1.306 0 CA-C-N 121.621 2.009 . . . . 0.0 106.462 -176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.1 93.76 9.09 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 118.13 -2.856 . . . . 0.0 107.741 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 50.4 p -57.67 -43.59 85.15 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -98.87 86.13 3.43 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-N 113.152 -1.84 . . . . 0.0 108.655 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.08 -16.66 33.59 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.3 p -66.48 -29.64 69.8 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.768 -1.207 . . . . 0.0 112.035 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -76.35 5.52 6.98 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-N 120.161 1.346 . . . . 0.0 114.557 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -84.25 94.54 8.44 Favored 'General case' 0 C--O 1.207 -1.164 0 O-C-N 120.99 -1.069 . . . . 0.0 111.614 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -122.29 152.49 40.02 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.311 1.044 . . . . 0.0 109.622 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 87.6 mt -82.45 119.85 24.72 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.015 -1.678 . . . . 0.0 107.975 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 38.6 p -62.6 161.72 11.69 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.16 -1.588 . . . . 0.0 114.829 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -61.73 -35.97 79.61 Favored 'General case' 0 CA--C 1.588 2.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.512 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.553 ' HD2' ' N ' ' A' ' 1' ' ' PHE . 35.3 t70 -50.09 -54.19 22.16 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 127.13 2.172 . . . . 0.0 113.111 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -63.77 -48.86 75.23 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-O 115.912 -1.994 . . . . 0.0 109.351 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 23.6 mt -54.16 -55.19 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 122.041 2.2 . . . . 0.0 110.91 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -55.19 -52.11 64.38 Favored 'General case' 0 N--CA 1.511 2.596 0 CA-C-N 119.442 1.019 . . . . 0.0 110.268 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -54.28 -51.85 48.21 Favored Glycine 0 CA--C 1.553 2.461 0 O-C-N 120.239 -1.538 . . . . 0.0 116.761 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . 0.561 5.2 tt -77.93 -18.23 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.482 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -62.4 -48.12 81.12 Favored 'General case' 0 CA--C 1.596 2.733 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 165.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 97.5 p -73.06 -11.35 60.52 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 116.64 -1.647 . . . . 0.0 109.196 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.312 88.0 mt -91.24 -68.75 0.77 Allowed 'General case' 0 N--CA 1.516 2.836 0 CA-C-N 120.839 1.654 . . . . 0.0 110.931 178.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -89.12 -17.09 29.93 Favored 'General case' 0 CA--C 1.623 3.777 1 O-C-N 116.069 -4.144 . . . . 0.0 114.899 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 103.2 121.54 4.95 Favored Glycine 0 CA--C 1.56 2.899 0 CA-C-O 117.478 -1.734 . . . . 0.0 110.866 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -40.33 159.28 0.03 OUTLIER 'Trans proline' 0 N--CA 1.503 2.05 3 C-N-CA 125.899 4.399 . . . . 0.0 122.927 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.32 139.13 28.58 Favored 'Trans proline' 1 CA--C 1.619 4.732 0 CA-C-N 121.482 1.565 . . . . 0.0 115.648 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 CA--C 1.589 3.255 0 CA-C-O 114.91 -2.204 . . . . 0.0 116.745 178.02 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ATT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.6 p90 . . . . . 0 CA--C 1.565 1.547 0 CA-C-O 121.92 0.867 . . . . 0.0 113.094 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -140.1 148.06 41.15 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 123.646 0.779 . . . . 0.0 111.469 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.9 p -118.73 154.97 31.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.798 -1.189 . . . . 0.0 108.861 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -58.63 153.61 39.87 Favored Pre-proline 0 CA--C 1.608 3.176 0 C-N-CA 126.035 1.734 . . . . 0.0 110.208 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -50.39 122.71 9.9 Favored 'Trans proline' 0 C--N 1.367 1.505 0 CA-C-N 123.088 2.139 . . . . 0.0 116.787 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.14 -13.51 67.2 Favored Glycine 0 CA--C 1.553 2.42 0 N-CA-C 118.517 2.167 . . . . 0.0 118.517 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.355 15.3 mt 72.44 65.75 0.35 Allowed Pre-proline 0 CA--C 1.578 2.054 0 C-N-CA 126.147 1.779 . . . . 0.0 112.471 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -81.31 113.09 2.6 Favored 'Trans proline' 0 C--N 1.393 2.89 0 C-N-CA 123.855 3.037 . . . . 0.0 110.758 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -130.68 159.82 36.11 Favored 'General case' 0 C--O 1.26 1.634 0 C-N-CA 124.165 0.986 . . . . 0.0 111.137 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -86.81 112.45 21.73 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -79.87 67.36 5.64 Favored 'General case' 0 CA--C 1.581 2.139 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.153 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -176.37 130.55 0.21 Allowed 'General case' 0 CA--C 1.607 3.139 0 C-N-CA 126.289 1.836 . . . . 0.0 107.392 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 p -77.37 -54.56 6.31 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 119.319 -2.113 . . . . 0.0 114.634 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -77.72 116.66 18.43 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-O 112.942 -3.409 . . . . 0.0 113.979 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.688 ' H ' ' C ' ' A' ' 49' ' ' THR 0.528 54.2 mt -89.33 177.15 6.67 Favored 'General case' 0 C--N 1.381 1.935 1 CA-C-N 126.106 4.048 . . . . 0.0 119.743 -178.066 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -144.28 108.06 4.69 Favored 'General case' 0 N--CA 1.514 2.768 0 N-CA-C 104.646 -2.353 . . . . 0.0 104.646 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 2.6 p90 -115.44 150.83 35.81 Favored 'General case' 0 N--CA 1.517 2.908 0 O-C-N 120.733 -1.229 . . . . 0.0 113.94 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.647 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 76.9 ttt180 -124.67 132.52 53.4 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.9 mt -89.1 125.14 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.373 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.307 96.2 t -80.34 -66.05 0.73 Allowed 'Isoleucine or valine' 1 N--CA 1.545 4.315 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.633 -178.678 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.253 12.5 p-10 -147.39 163.38 36.66 Favored 'General case' 0 CA--C 1.564 1.494 0 O-C-N 119.153 -2.217 . . . . 0.0 111.085 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -98.89 139.08 35.09 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.729 1.212 . . . . 0.0 109.097 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 t -77.7 140.62 63.64 Favored Pre-proline 0 N--CA 1.521 3.097 0 CA-C-O 115.122 -2.37 . . . . 0.0 113.252 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -58.66 -22.56 61.3 Favored 'Trans proline' 0 C--N 1.392 2.866 0 C-N-CA 124.612 3.541 . . . . 0.0 120.699 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -75.87 -12.12 60.1 Favored 'General case' 0 N--CA 1.527 3.414 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.5 mt -138.67 149.28 61.76 Favored Pre-proline 0 C--N 1.38 1.893 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.06 165.78 29.11 Favored 'Trans proline' 0 C--N 1.373 1.83 0 CA-C-N 122.38 1.886 . . . . 0.0 111.374 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -56.18 -47.16 78.83 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 117.951 -2.968 . . . . 0.0 118.352 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -63.54 -29.11 70.42 Favored 'General case' 0 N--CA 1.515 2.824 0 O-C-N 127.049 2.718 . . . . 0.0 115.496 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.23 -47.62 23.27 Favored 'General case' 0 CA--C 1.593 2.618 0 CA-C-N 123.864 3.029 . . . . 0.0 111.286 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' VAL . 83.0 t -51.49 -40.61 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.042 0 C-N-CA 125.96 1.704 . . . . 0.0 111.405 175.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -79.79 -32.26 40.85 Favored 'General case' 0 CA--C 1.575 1.908 0 CA-C-O 116.023 -1.942 . . . . 0.0 112.784 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.4 m -59.75 -51.88 67.85 Favored 'General case' 0 N--CA 1.517 2.902 0 O-C-N 125.278 1.611 . . . . 0.0 108.745 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.381 . . -81.08 -21.92 39.61 Favored 'General case' 0 N--CA 1.521 3.1 0 CA-C-O 115.416 -2.23 . . . . 0.0 115.199 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 31' ' ' VAL . 3.0 t -58.47 -47.19 88.91 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.675 0 CA-C-N 125.116 3.598 . . . . 0.0 103.037 169.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -55.32 -38.71 69.05 Favored 'General case' 0 CA--C 1.607 3.162 0 CA-C-O 112.73 -3.509 . . . . 0.0 110.894 171.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.33 -44.67 94.25 Favored 'General case' 0 CA--C 1.597 2.788 0 CA-C-N 122.708 2.504 . . . . 0.0 111.601 172.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HA ' HG23 ' A' ' 41' ' ' VAL . . . -69.69 -32.77 71.57 Favored 'General case' 1 N--CA 1.553 4.682 0 O-C-N 117.785 -3.072 . . . . 0.0 116.464 176.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' CG ' ' A' ' 50' ' ' PHE . 92.7 mt -62.46 -56.84 14.37 Favored 'General case' 0 N--CA 1.535 3.783 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -49.14 -41.95 37.84 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 112.83 -3.462 . . . . 0.0 108.262 162.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 45' ' ' VAL 0.484 54.3 t -37.83 -50.56 0.37 Allowed 'Isoleucine or valine' 1 C--N 1.434 4.261 0 CA-C-N 124.751 3.432 . . . . 0.0 111.965 -174.155 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.581 ' O ' HG22 ' A' ' 45' ' ' VAL 0.395 66.1 m95 -64.76 -55.69 18.25 Favored 'General case' 0 CA--C 1.573 1.864 2 CA-C-N 105.107 -5.497 . . . . 0.0 112.163 179.627 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -54.95 -32.82 61.75 Favored 'General case' 0 CA--C 1.592 2.569 0 O-C-N 118.386 -2.696 . . . . 0.0 115.675 171.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -76.92 -32.16 57.18 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-N 120.075 1.307 . . . . 0.0 109.677 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 42' ' ' TRP 0.302 1.3 m -47.34 -84.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.531 3.597 0 CA-C-O 125.481 2.562 . . . . 0.0 113.281 172.596 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.573 ' H ' ' CG2' ' A' ' 45' ' ' VAL 0.272 30.0 p -120.53 -151.09 0.01 OUTLIER Pre-proline 0 CA--C 1.565 1.557 0 N-CA-C 101.789 -3.411 . . . . 0.0 101.789 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -85.43 46.25 1.73 Allowed 'Trans proline' 0 CA--C 1.603 3.943 0 CA-C-O 113.733 -2.695 . . . . 0.0 109.309 171.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -76.28 107.98 8.9 Favored 'General case' 0 C--N 1.383 2.05 1 CA-C-N 129.495 5.589 . . . . 0.0 114.548 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.688 ' C ' ' H ' ' A' ' 15' ' ' LEU 0.421 0.2 OUTLIER -79.83 -167.25 1.19 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 118.39 -2.694 . . . . 0.0 111.464 -177.505 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CG ' HD22 ' A' ' 39' ' ' LEU . 5.4 m-85 179.4 126.24 0.07 Allowed 'General case' 0 C--O 1.258 1.549 0 C-N-CA 129.846 3.258 . . . . 0.0 112.843 -172.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 p -115.43 122.67 46.5 Favored 'General case' 0 N--CA 1.523 3.215 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.28 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -74.69 130.62 39.84 Favored 'General case' 1 N--CA 1.541 4.08 0 CA-C-N 121.088 1.767 . . . . 0.0 111.012 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.5 mt -132.2 157.6 43.88 Favored 'General case' 0 CA--C 1.579 2.094 0 CA-C-O 125.221 2.439 . . . . 0.0 110.694 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -127.2 -16.62 4.95 Favored 'General case' 0 CA--C 1.596 2.747 0 C-N-CA 128.295 2.638 . . . . 0.0 111.928 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -137.09 172.55 12.84 Favored 'General case' 0 CA--C 1.619 3.63 0 C-N-CA 124.892 1.277 . . . . 0.0 109.785 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.98 -167.49 52.71 Favored Glycine 1 N--CA 1.52 4.264 0 N-CA-C 118.085 1.994 . . . . 0.0 118.085 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -118.13 136.22 53.73 Favored 'General case' 0 CA--C 1.618 3.57 0 CA-C-N 111.425 -2.387 . . . . 0.0 112.767 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -170.9 100.17 0.22 Allowed 'General case' 0 C--N 1.299 -1.589 1 N-CA-C 99.839 -4.134 . . . . 0.0 99.839 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.285 18.0 t0 -63.99 61.21 0.02 OUTLIER 'General case' 0 N--CA 1.529 3.497 1 CA-C-O 129.752 4.596 . . . . 0.0 121.568 -174.797 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . 0.425 0.3 OUTLIER -167.64 75.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.89 1 CA-C-N 105.478 -5.328 . . . . 0.0 103.831 172.108 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.647 ' SD ' ' HD3' ' A' ' 18' ' ' ARG . 6.1 mmm -107.57 108.18 19.34 Favored 'General case' 0 C--O 1.271 2.226 2 N-CA-C 99.784 -4.154 . . . . 0.0 99.784 178.573 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.8 mt -72.09 108.81 3.8 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 O-C-N 119.184 -2.198 . . . . 0.0 108.489 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . 0.65 0.6 OUTLIER -128.62 -172.46 2.71 Favored 'General case' 0 CA--C 1.603 3.015 1 N-CA-C 131.582 7.623 . . . . 0.0 131.582 177.46 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' HA ' ' H ' ' A' ' 98' ' ' PHE . 83.0 m-85 -140.94 152.3 44.88 Favored 'General case' 0 N--CA 1.518 2.932 2 CA-C-N 104.749 -5.66 . . . . 0.0 122.273 -167.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.43 110.21 2.22 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 128.26 3.885 . . . . 0.0 114.373 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.259 18.4 m -76.09 86.63 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.592 2.576 0 CA-C-N 110.276 -3.147 . . . . 0.0 109.503 174.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . 0.356 20.3 mmt180 78.23 -61.81 0.37 Allowed 'General case' 0 N--CA 1.525 3.286 0 N-CA-C 115.907 1.818 . . . . 0.0 115.907 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -150.63 160.1 44.05 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 125.411 2.529 . . . . 0.0 110.811 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . 0.265 53.3 p-80 -145.33 -52.85 0.28 Allowed 'General case' 0 N--CA 1.508 2.447 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.649 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.54 71.2 0.04 OUTLIER Glycine 0 N--CA 1.497 2.721 0 CA-C-N 121.001 1.728 . . . . 0.0 115.245 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . 0.266 29.2 p-10 -145.55 -90.18 0.1 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -149.07 -38.32 0.16 Allowed 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -107.67 100.9 37.36 Favored Pre-proline 0 CA--C 1.58 2.115 0 CA-C-O 115.949 -1.977 . . . . 0.0 114.989 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -62.09 157.27 45.21 Favored 'Trans proline' 0 N--CA 1.504 2.112 0 C-N-CA 123.311 2.674 . . . . 0.0 114.856 174.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -103.4 155.68 18.31 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-O 123.976 1.846 . . . . 0.0 112.396 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -86.56 -26.11 24.68 Favored 'General case' 0 CA--C 1.594 2.655 0 CA-C-N 109.085 -3.689 . . . . 0.0 116.566 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.32 -122.3 7.3 Favored Glycine 0 CA--C 1.571 3.561 0 CA-C-O 113.776 -3.791 . . . . 0.0 107.754 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -67.62 146.47 73.6 Favored 'Trans proline' 0 C--O 1.262 1.694 1 CA-C-N 126.213 5.007 . . . . 0.0 118.511 174.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.27 160.44 5.96 Favored Glycine 1 CA--C 1.587 4.556 0 O-C-N 118.342 -2.724 . . . . 0.0 119.016 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . 0.296 47.6 m-80 62.14 -101.46 0.1 Allowed 'General case' 1 N--CA 1.565 5.283 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 177.472 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.56 120.69 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.59 0 C-N-CA 125.178 1.391 . . . . 0.0 111.549 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.64 -63.64 1.35 Allowed 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 102.776 -3.046 . . . . 0.0 102.776 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . 0.39 . . -144.17 176.81 9.05 Favored 'General case' 0 N--CA 1.437 -1.088 0 O-C-N 117.535 -3.228 . . . . 0.0 107.415 177.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . 0.295 0.3 OUTLIER -95.85 100.37 12.07 Favored 'General case' 1 C--O 1.313 4.407 2 N-CA-C 91.435 -7.246 . . . . 0.0 91.435 154.861 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.94 95.9 10.36 Favored 'General case' 0 CA--C 1.613 3.4 2 CA-C-N 106.057 -5.065 . . . . 0.0 98.944 -174.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -96.61 132.35 42.32 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 125.717 3.871 . . . . 0.0 117.225 -173.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 124' ' ' SER . . . -68.91 170.59 8.17 Favored Pre-proline 0 CA--C 1.575 1.909 1 N-CA-C 122.188 4.144 . . . . 0.0 122.188 -176.138 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -56.56 137.38 80.52 Favored 'Trans proline' 1 CA--C 1.619 4.758 0 CA-C-N 126.123 3.223 . . . . 0.0 117.646 -175.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 153.2 -164.52 30.97 Favored Glycine 0 CA--C 1.559 2.821 0 CA-C-N 112.518 -2.128 . . . . 0.0 113.461 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -90.44 135.67 2.17 Favored 'Trans proline' 0 CA--C 1.57 2.294 0 C-N-CA 123.072 2.515 . . . . 0.0 116.749 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.73 -102.87 0.3 Allowed Glycine 0 CA--C 1.576 3.893 0 O-C-N 119.399 -2.063 . . . . 0.0 117.943 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -37.12 37.45 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.709 0 O-C-N 120.933 -1.333 . . . . 0.0 110.92 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -76.98 112.07 13.21 Favored 'General case' 0 CA--C 1.594 2.665 0 CA-C-N 121.599 2.0 . . . . 0.0 109.93 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.79 -51.76 0.42 Allowed Glycine 1 N--CA 1.539 5.544 1 O-C-N 116.024 -4.173 . . . . 0.0 121.872 177.512 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . 0.471 45.0 m-20 -107.53 150.93 26.25 Favored 'General case' 0 C--O 1.26 1.649 1 CA-C-N 100.812 -7.694 . . . . 0.0 111.434 -169.506 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . 0.348 . . -88.38 165.89 14.63 Favored 'General case' 0 C--O 1.201 -1.494 1 O-C-N 132.02 5.825 . . . . 0.0 115.592 176.74 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -164.13 91.96 0.64 Allowed 'General case' 0 CA--C 1.579 2.062 0 O-C-N 128.229 3.455 . . . . 0.0 106.805 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' H ' ' HA ' ' A' ' 64' ' ' PHE 0.282 2.3 m-85 -74.01 169.1 18.18 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 126.314 2.959 . . . . 0.0 109.742 174.641 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 101' ' ' ASP 0.384 66.5 t0 -87.3 178.38 6.87 Favored 'General case' 0 CA--C 1.592 2.585 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 169.389 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -76.67 84.93 3.31 Favored 'General case' 1 N--CA 1.54 4.039 1 N-CA-C 93.822 -6.362 . . . . 0.0 93.822 155.343 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.529 ' HB2' ' HB3' ' A' ' 99' ' ' ASP 0.319 15.7 t70 -80.37 -90.9 0.06 Allowed 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 118.587 2.81 . . . . 0.0 118.587 -166.189 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -122.32 -179.28 4.13 Favored 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 121.798 0.808 . . . . 0.0 112.177 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -89.03 92.9 9.41 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -63.25 129.07 38.71 Favored 'General case' 0 C--N 1.391 2.378 0 CA-C-O 125.131 2.396 . . . . 0.0 116.295 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 34.2 p -136.13 152.23 50.61 Favored 'General case' 0 CA--C 1.57 1.736 0 O-C-N 118.995 -2.316 . . . . 0.0 110.131 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.485 ' H ' ' CD ' ' A' ' 106' ' ' LYS 0.269 0.0 OUTLIER -71.15 -37.17 72.25 Favored 'General case' 0 CA--C 1.623 3.763 0 C-N-CA 128.155 2.582 . . . . 0.0 110.307 173.011 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -103.38 177.18 4.91 Favored 'General case' 0 CA--C 1.61 3.271 0 C-N-CA 126.119 1.768 . . . . 0.0 110.472 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.9 m -75.72 -19.22 59.23 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 p -42.01 -55.25 3.23 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 126.829 2.051 . . . . 0.0 115.465 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -90.84 -72.57 1.25 Allowed Glycine 0 C--O 1.2 -1.997 0 O-C-N 120.345 -1.472 . . . . 0.0 115.471 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.6 m -164.77 112.04 1.03 Allowed 'General case' 0 N--CA 1.484 1.241 0 O-C-N 119.974 -1.897 . . . . 0.0 108.345 171.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -67.34 115.92 7.52 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.322 32.6 tp -68.16 -29.39 68.26 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 115.234 -2.317 . . . . 0.0 115.821 176.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.45 -61.44 2.34 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 121.201 1.819 . . . . 0.0 113.198 173.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.57 -56.68 9.09 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.311 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . 0.296 86.2 t -61.53 -47.39 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.558 0 CA-C-O 113.845 -2.979 . . . . 0.0 112.986 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.67 -48.67 79.77 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 122.082 2.219 . . . . 0.0 110.621 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.42 83.48 Favored 'General case' 0 CA--C 1.595 2.707 0 CA-C-N 124.364 3.256 . . . . 0.0 111.89 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -74.92 -49.29 20.74 Favored 'General case' 0 CA--C 1.586 2.332 0 CA-C-N 122.388 2.358 . . . . 0.0 113.421 177.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.64 -41.44 79.4 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 116.182 -1.866 . . . . 0.0 113.665 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.22 -35.6 67.05 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.683 0 CA-C-N 120.872 1.669 . . . . 0.0 108.748 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -57.3 -45.28 92.95 Favored Glycine 1 CA--C 1.585 4.466 0 CA-C-N 118.089 0.404 . . . . 0.0 113.539 173.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -59.54 -43.63 93.44 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 115.25 -2.31 . . . . 0.0 107.517 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 87' ' ' ALA . 12.9 m -66.47 -22.97 66.2 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 123.836 3.016 . . . . 0.0 117.126 174.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -96.42 -3.77 42.95 Favored 'General case' 0 CA--C 1.585 2.32 0 N-CA-C 118.227 2.677 . . . . 0.0 118.227 -178.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 134.77 -35.63 2.18 Favored Glycine 0 N--CA 1.506 3.316 0 N-CA-C 121.474 3.35 . . . . 0.0 121.474 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.67 133.94 36.4 Favored 'General case' 0 CA--C 1.552 1.058 0 O-C-N 120.785 -1.421 . . . . 0.0 114.61 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.283 30.4 t80 -96.08 -102.9 0.17 Allowed 'General case' 0 N--CA 1.503 2.208 0 CA-C-O 115.134 -2.365 . . . . 0.0 110.617 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.07 117.68 23.7 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 t -95.6 119.17 33.62 Favored 'General case' 0 C--O 1.267 1.981 0 C-N-CA 124.35 1.06 . . . . 0.0 111.076 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.37 79.94 9.25 Favored 'General case' 0 CA--C 1.579 2.086 0 CA-C-O 121.873 0.844 . . . . 0.0 111.688 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -139.9 -45.14 0.43 Allowed 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 67.1 p 104.2 -65.41 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.405 0 C-N-CA 126.988 2.115 . . . . 0.0 106.926 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . 0.299 3.1 pm0 -71.51 -20.37 62.06 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.91 7.8 0.63 Allowed 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . 0.255 63.8 tp 73.59 -55.56 0.67 Allowed 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 121.388 1.904 . . . . 0.0 114.863 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 72.1 mmm -71.87 40.23 0.07 Allowed 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 123.776 1.75 . . . . 0.0 115.566 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -87.64 136.13 33.26 Favored Pre-proline 0 N--CA 1.498 1.96 0 O-C-N 119.112 -2.242 . . . . 0.0 109.98 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -47.85 -28.94 10.63 Favored 'Trans proline' 0 CA--C 1.574 2.475 0 N-CA-C 121.114 3.467 . . . . 0.0 121.114 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.6 mt -121.53 140.08 52.67 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -79.22 120.19 23.37 Favored 'General case' 0 CA--C 1.583 2.215 0 CA-C-O 124.252 1.977 . . . . 0.0 108.875 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . 0.379 28.3 p-80 -90.49 -111.44 0.08 Allowed 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 116.856 -1.545 . . . . 0.0 114.785 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.8 m -172.79 84.48 0.06 Allowed 'General case' 0 C--O 1.254 1.306 0 CA-C-N 121.621 2.009 . . . . 0.0 106.462 -176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.1 93.76 9.09 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 118.13 -2.856 . . . . 0.0 107.741 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 50.4 p -57.67 -43.59 85.15 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -98.87 86.13 3.43 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-N 113.152 -1.84 . . . . 0.0 108.655 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.08 -16.66 33.59 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.3 p -66.48 -29.64 69.8 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.768 -1.207 . . . . 0.0 112.035 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -76.35 5.52 6.98 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-N 120.161 1.346 . . . . 0.0 114.557 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -84.25 94.54 8.44 Favored 'General case' 0 C--O 1.207 -1.164 0 O-C-N 120.99 -1.069 . . . . 0.0 111.614 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -122.29 152.49 40.02 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.311 1.044 . . . . 0.0 109.622 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 87.6 mt -82.45 119.85 24.72 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.015 -1.678 . . . . 0.0 107.975 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 38.6 p -62.6 161.72 11.69 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.16 -1.588 . . . . 0.0 114.829 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -61.73 -35.97 79.61 Favored 'General case' 0 CA--C 1.588 2.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.512 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -50.09 -54.19 22.16 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 127.13 2.172 . . . . 0.0 113.111 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 160' ' ' ILE . 70.3 m-20 -63.77 -48.86 75.23 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-O 115.912 -1.994 . . . . 0.0 109.351 176.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 23.6 mt -54.16 -55.19 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 122.041 2.2 . . . . 0.0 110.91 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -55.19 -52.11 64.38 Favored 'General case' 0 N--CA 1.511 2.596 0 CA-C-N 119.442 1.019 . . . . 0.0 110.268 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -54.28 -51.85 48.21 Favored Glycine 0 CA--C 1.553 2.461 0 O-C-N 120.239 -1.538 . . . . 0.0 116.761 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 156' ' ' ASP 0.561 5.2 tt -77.93 -18.23 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.482 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -179.518 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -62.4 -48.12 81.12 Favored 'General case' 0 CA--C 1.596 2.733 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 165.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 97.5 p -73.06 -11.35 60.52 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 116.64 -1.647 . . . . 0.0 109.196 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.312 88.0 mt -91.24 -68.75 0.77 Allowed 'General case' 0 N--CA 1.516 2.836 0 CA-C-N 120.839 1.654 . . . . 0.0 110.931 178.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -89.12 -17.09 29.93 Favored 'General case' 0 CA--C 1.623 3.777 1 O-C-N 116.069 -4.144 . . . . 0.0 114.899 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 103.2 121.54 4.95 Favored Glycine 0 CA--C 1.56 2.899 0 CA-C-O 117.478 -1.734 . . . . 0.0 110.866 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -40.33 159.28 0.03 OUTLIER 'Trans proline' 0 N--CA 1.503 2.05 3 C-N-CA 125.899 4.399 . . . . 0.0 122.927 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.32 139.13 28.58 Favored 'Trans proline' 1 CA--C 1.619 4.732 0 CA-C-N 121.482 1.565 . . . . 0.0 115.648 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 CA--C 1.589 3.255 0 CA-C-O 114.91 -2.204 . . . . 0.0 116.745 178.02 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ATT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 8.6 p90 . . . . . 0 CA--C 1.565 1.547 0 CA-C-O 121.92 0.867 . . . . 0.0 113.094 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -140.1 148.06 41.15 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 123.646 0.779 . . . . 0.0 111.469 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.9 p -118.73 154.97 31.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.798 -1.189 . . . . 0.0 108.861 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -58.63 153.61 39.87 Favored Pre-proline 0 CA--C 1.608 3.176 0 C-N-CA 126.035 1.734 . . . . 0.0 110.208 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -50.39 122.71 9.9 Favored 'Trans proline' 0 C--N 1.367 1.505 0 CA-C-N 123.088 2.139 . . . . 0.0 116.787 178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 94.14 -13.51 67.2 Favored Glycine 0 CA--C 1.553 2.42 0 N-CA-C 118.517 2.167 . . . . 0.0 118.517 -177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . 0.355 15.3 mt 72.44 65.75 0.35 Allowed Pre-proline 0 CA--C 1.578 2.054 0 C-N-CA 126.147 1.779 . . . . 0.0 112.471 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -81.31 113.09 2.6 Favored 'Trans proline' 0 C--N 1.393 2.89 0 C-N-CA 123.855 3.037 . . . . 0.0 110.758 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -130.68 159.82 36.11 Favored 'General case' 0 C--O 1.26 1.634 0 C-N-CA 124.165 0.986 . . . . 0.0 111.137 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -86.81 112.45 21.73 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -79.87 67.36 5.64 Favored 'General case' 0 CA--C 1.581 2.139 0 CA-C-N 114.566 -1.197 . . . . 0.0 112.153 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -176.37 130.55 0.21 Allowed 'General case' 0 CA--C 1.607 3.139 0 C-N-CA 126.289 1.836 . . . . 0.0 107.392 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.1 p -77.37 -54.56 6.31 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 119.319 -2.113 . . . . 0.0 114.634 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -77.72 116.66 18.43 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-O 112.942 -3.409 . . . . 0.0 113.979 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.688 ' H ' ' C ' ' A' ' 49' ' ' THR 0.528 54.2 mt -89.33 177.15 6.67 Favored 'General case' 0 C--N 1.381 1.935 1 CA-C-N 126.106 4.048 . . . . 0.0 119.743 -178.066 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 p -144.28 108.06 4.69 Favored 'General case' 0 N--CA 1.514 2.768 0 N-CA-C 104.646 -2.353 . . . . 0.0 104.646 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CZ ' HD11 ' A' ' 39' ' ' LEU . 2.6 p90 -115.44 150.83 35.81 Favored 'General case' 0 N--CA 1.517 2.908 0 O-C-N 120.733 -1.229 . . . . 0.0 113.94 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.647 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 76.9 ttt180 -124.67 132.52 53.4 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 178.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.9 mt -89.1 125.14 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.373 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.307 96.2 t -80.34 -66.05 0.73 Allowed 'Isoleucine or valine' 1 N--CA 1.545 4.315 0 C-N-CA 118.795 -1.162 . . . . 0.0 110.633 -178.678 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.253 12.5 p-10 -147.39 163.38 36.66 Favored 'General case' 0 CA--C 1.564 1.494 0 O-C-N 119.153 -2.217 . . . . 0.0 111.085 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -98.89 139.08 35.09 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.729 1.212 . . . . 0.0 109.097 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 t -77.7 140.62 63.64 Favored Pre-proline 0 N--CA 1.521 3.097 0 CA-C-O 115.122 -2.37 . . . . 0.0 113.252 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -58.66 -22.56 61.3 Favored 'Trans proline' 0 C--N 1.392 2.866 0 C-N-CA 124.612 3.541 . . . . 0.0 120.699 176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -75.87 -12.12 60.1 Favored 'General case' 0 N--CA 1.527 3.414 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.5 mt -138.67 149.28 61.76 Favored Pre-proline 0 C--N 1.38 1.893 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.06 165.78 29.11 Favored 'Trans proline' 0 C--N 1.373 1.83 0 CA-C-N 122.38 1.886 . . . . 0.0 111.374 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -56.18 -47.16 78.83 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 117.951 -2.968 . . . . 0.0 118.352 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -63.54 -29.11 70.42 Favored 'General case' 0 N--CA 1.515 2.824 0 O-C-N 127.049 2.718 . . . . 0.0 115.496 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.23 -47.62 23.27 Favored 'General case' 0 CA--C 1.593 2.618 0 CA-C-N 123.864 3.029 . . . . 0.0 111.286 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 35' ' ' VAL . 83.0 t -51.49 -40.61 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.042 0 C-N-CA 125.96 1.704 . . . . 0.0 111.405 175.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -79.79 -32.26 40.85 Favored 'General case' 0 CA--C 1.575 1.908 0 CA-C-O 116.023 -1.942 . . . . 0.0 112.784 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.4 m -59.75 -51.88 67.85 Favored 'General case' 0 N--CA 1.517 2.902 0 O-C-N 125.278 1.611 . . . . 0.0 108.745 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . 0.381 . . -81.08 -21.92 39.61 Favored 'General case' 0 N--CA 1.521 3.1 0 CA-C-O 115.416 -2.23 . . . . 0.0 115.199 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 31' ' ' VAL . 3.0 t -58.47 -47.19 88.91 Favored 'Isoleucine or valine' 0 CA--C 1.595 2.675 0 CA-C-N 125.116 3.598 . . . . 0.0 103.037 169.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -55.32 -38.71 69.05 Favored 'General case' 0 CA--C 1.607 3.162 0 CA-C-O 112.73 -3.509 . . . . 0.0 110.894 171.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.33 -44.67 94.25 Favored 'General case' 0 CA--C 1.597 2.788 0 CA-C-N 122.708 2.504 . . . . 0.0 111.601 172.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HA ' HG23 ' A' ' 41' ' ' VAL . . . -69.69 -32.77 71.57 Favored 'General case' 1 N--CA 1.553 4.682 0 O-C-N 117.785 -3.072 . . . . 0.0 116.464 176.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' CG ' ' A' ' 50' ' ' PHE . 92.7 mt -62.46 -56.84 14.37 Favored 'General case' 0 N--CA 1.535 3.783 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' C ' ' CD ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -49.14 -41.95 37.84 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 112.83 -3.462 . . . . 0.0 108.262 162.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 45' ' ' VAL 0.484 54.3 t -37.83 -50.56 0.37 Allowed 'Isoleucine or valine' 1 C--N 1.434 4.261 0 CA-C-N 124.751 3.432 . . . . 0.0 111.965 -174.155 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.581 ' O ' HG22 ' A' ' 45' ' ' VAL 0.395 66.1 m95 -64.76 -55.69 18.25 Favored 'General case' 0 CA--C 1.573 1.864 2 CA-C-N 105.107 -5.497 . . . . 0.0 112.163 179.627 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -54.95 -32.82 61.75 Favored 'General case' 0 CA--C 1.592 2.569 0 O-C-N 118.386 -2.696 . . . . 0.0 115.675 171.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -76.92 -32.16 57.18 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-N 120.075 1.307 . . . . 0.0 109.677 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 42' ' ' TRP 0.302 1.3 m -47.34 -84.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.531 3.597 0 CA-C-O 125.481 2.562 . . . . 0.0 113.281 172.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.573 ' H ' ' CG2' ' A' ' 45' ' ' VAL 0.272 30.0 p -120.53 -151.09 0.01 OUTLIER Pre-proline 0 CA--C 1.565 1.557 0 N-CA-C 101.789 -3.411 . . . . 0.0 101.789 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -85.43 46.25 1.73 Allowed 'Trans proline' 0 CA--C 1.603 3.943 0 CA-C-O 113.733 -2.695 . . . . 0.0 109.309 171.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.9 mt -76.28 107.98 8.9 Favored 'General case' 0 C--N 1.383 2.05 1 CA-C-N 129.495 5.589 . . . . 0.0 114.548 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.688 ' C ' ' H ' ' A' ' 15' ' ' LEU 0.421 0.2 OUTLIER -79.83 -167.25 1.19 Allowed 'General case' 0 N--CA 1.504 2.228 0 O-C-N 118.39 -2.694 . . . . 0.0 111.464 -177.505 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.576 ' CG ' HD22 ' A' ' 39' ' ' LEU . 5.4 m-85 179.4 126.24 0.07 Allowed 'General case' 0 C--O 1.258 1.549 0 C-N-CA 129.846 3.258 . . . . 0.0 112.843 -172.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.3 p -115.43 122.67 46.5 Favored 'General case' 0 N--CA 1.523 3.215 0 CA-C-O 117.853 -1.07 . . . . 0.0 109.28 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -74.69 130.62 39.84 Favored 'General case' 1 N--CA 1.541 4.08 0 CA-C-N 121.088 1.767 . . . . 0.0 111.012 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.5 mt -132.2 157.6 43.88 Favored 'General case' 0 CA--C 1.579 2.094 0 CA-C-O 125.221 2.439 . . . . 0.0 110.694 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -127.2 -16.62 4.95 Favored 'General case' 0 CA--C 1.596 2.747 0 C-N-CA 128.295 2.638 . . . . 0.0 111.928 -177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -137.09 172.55 12.84 Favored 'General case' 0 CA--C 1.619 3.63 0 C-N-CA 124.892 1.277 . . . . 0.0 109.785 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.98 -167.49 52.71 Favored Glycine 1 N--CA 1.52 4.264 0 N-CA-C 118.085 1.994 . . . . 0.0 118.085 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -118.13 136.22 53.73 Favored 'General case' 0 CA--C 1.618 3.57 0 CA-C-N 111.425 -2.387 . . . . 0.0 112.767 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -170.9 100.17 0.22 Allowed 'General case' 0 C--N 1.299 -1.589 1 N-CA-C 99.839 -4.134 . . . . 0.0 99.839 -176.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.285 18.0 t0 -63.99 61.21 0.02 OUTLIER 'General case' 0 N--CA 1.529 3.497 1 CA-C-O 129.752 4.596 . . . . 0.0 121.568 -174.797 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . 0.425 0.3 OUTLIER -167.64 75.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.89 1 CA-C-N 105.478 -5.328 . . . . 0.0 103.831 172.108 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.647 ' SD ' ' HD3' ' A' ' 18' ' ' ARG . 6.1 mmm -107.57 108.18 19.34 Favored 'General case' 0 C--O 1.271 2.226 2 N-CA-C 99.784 -4.154 . . . . 0.0 99.784 178.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.8 mt -72.09 108.81 3.8 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.352 0 O-C-N 119.184 -2.198 . . . . 0.0 108.489 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . 0.65 0.6 OUTLIER -128.62 -172.46 2.71 Favored 'General case' 0 CA--C 1.603 3.015 1 N-CA-C 131.582 7.623 . . . . 0.0 131.582 177.46 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' HA ' ' H ' ' A' ' 98' ' ' PHE . 83.0 m-85 -140.94 152.3 44.88 Favored 'General case' 0 N--CA 1.518 2.932 2 CA-C-N 104.749 -5.66 . . . . 0.0 122.273 -167.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.43 110.21 2.22 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 128.26 3.885 . . . . 0.0 114.373 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.259 18.4 m -76.09 86.63 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.592 2.576 0 CA-C-N 110.276 -3.147 . . . . 0.0 109.503 174.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . 0.356 20.3 mmt180 78.23 -61.81 0.37 Allowed 'General case' 0 N--CA 1.525 3.286 0 N-CA-C 115.907 1.818 . . . . 0.0 115.907 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -150.63 160.1 44.05 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-O 125.411 2.529 . . . . 0.0 110.811 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . 0.265 53.3 p-80 -145.33 -52.85 0.28 Allowed 'General case' 0 N--CA 1.508 2.447 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.649 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.54 71.2 0.04 OUTLIER Glycine 0 N--CA 1.497 2.721 0 CA-C-N 121.001 1.728 . . . . 0.0 115.245 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . 0.266 29.2 p-10 -145.55 -90.18 0.1 Allowed 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -149.07 -38.32 0.16 Allowed 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -107.67 100.9 37.36 Favored Pre-proline 0 CA--C 1.58 2.115 0 CA-C-O 115.949 -1.977 . . . . 0.0 114.989 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -62.09 157.27 45.21 Favored 'Trans proline' 0 N--CA 1.504 2.112 0 C-N-CA 123.311 2.674 . . . . 0.0 114.856 174.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -103.4 155.68 18.31 Favored 'General case' 0 CA--C 1.574 1.866 0 CA-C-O 123.976 1.846 . . . . 0.0 112.396 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -86.56 -26.11 24.68 Favored 'General case' 0 CA--C 1.594 2.655 0 CA-C-N 109.085 -3.689 . . . . 0.0 116.566 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.32 -122.3 7.3 Favored Glycine 0 CA--C 1.571 3.561 0 CA-C-O 113.776 -3.791 . . . . 0.0 107.754 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -67.62 146.47 73.6 Favored 'Trans proline' 0 C--O 1.262 1.694 1 CA-C-N 126.213 5.007 . . . . 0.0 118.511 174.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.27 160.44 5.96 Favored Glycine 1 CA--C 1.587 4.556 0 O-C-N 118.342 -2.724 . . . . 0.0 119.016 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . 0.296 47.6 m-80 62.14 -101.46 0.1 Allowed 'General case' 1 N--CA 1.565 5.283 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 177.472 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.56 120.69 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.59 0 C-N-CA 125.178 1.391 . . . . 0.0 111.549 -176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.64 -63.64 1.35 Allowed 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 102.776 -3.046 . . . . 0.0 102.776 173.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . 0.39 . . -144.17 176.81 9.05 Favored 'General case' 0 N--CA 1.437 -1.088 0 O-C-N 117.535 -3.228 . . . . 0.0 107.415 177.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . 0.295 0.3 OUTLIER -95.85 100.37 12.07 Favored 'General case' 1 C--O 1.313 4.407 2 N-CA-C 91.435 -7.246 . . . . 0.0 91.435 154.861 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -90.94 95.9 10.36 Favored 'General case' 0 CA--C 1.613 3.4 2 CA-C-N 106.057 -5.065 . . . . 0.0 98.944 -174.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -96.61 132.35 42.32 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 125.717 3.871 . . . . 0.0 117.225 -173.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 124' ' ' SER . . . -68.91 170.59 8.17 Favored Pre-proline 0 CA--C 1.575 1.909 1 N-CA-C 122.188 4.144 . . . . 0.0 122.188 -176.138 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -56.56 137.38 80.52 Favored 'Trans proline' 1 CA--C 1.619 4.758 0 CA-C-N 126.123 3.223 . . . . 0.0 117.646 -175.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 153.2 -164.52 30.97 Favored Glycine 0 CA--C 1.559 2.821 0 CA-C-N 112.518 -2.128 . . . . 0.0 113.461 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -90.44 135.67 2.17 Favored 'Trans proline' 0 CA--C 1.57 2.294 0 C-N-CA 123.072 2.515 . . . . 0.0 116.749 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.73 -102.87 0.3 Allowed Glycine 0 CA--C 1.576 3.893 0 O-C-N 119.399 -2.063 . . . . 0.0 117.943 178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.54 -37.12 37.45 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.709 0 O-C-N 120.933 -1.333 . . . . 0.0 110.92 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -76.98 112.07 13.21 Favored 'General case' 0 CA--C 1.594 2.665 0 CA-C-N 121.599 2.0 . . . . 0.0 109.93 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 156.79 -51.76 0.42 Allowed Glycine 1 N--CA 1.539 5.544 1 O-C-N 116.024 -4.173 . . . . 0.0 121.872 177.512 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . 0.471 45.0 m-20 -107.53 150.93 26.25 Favored 'General case' 0 C--O 1.26 1.649 1 CA-C-N 100.812 -7.694 . . . . 0.0 111.434 -169.506 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . 0.348 . . -88.38 165.89 14.63 Favored 'General case' 0 C--O 1.201 -1.494 1 O-C-N 132.02 5.825 . . . . 0.0 115.592 176.74 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -164.13 91.96 0.64 Allowed 'General case' 0 CA--C 1.579 2.062 0 O-C-N 128.229 3.455 . . . . 0.0 106.805 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' H ' ' HA ' ' A' ' 64' ' ' PHE 0.282 2.3 m-85 -74.01 169.1 18.18 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 126.314 2.959 . . . . 0.0 109.742 174.641 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 101' ' ' ASP 0.384 66.5 t0 -87.3 178.38 6.87 Favored 'General case' 0 CA--C 1.592 2.585 0 N-CA-C 103.761 -2.681 . . . . 0.0 103.761 169.389 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -76.67 84.93 3.31 Favored 'General case' 1 N--CA 1.54 4.039 1 N-CA-C 93.822 -6.362 . . . . 0.0 93.822 155.343 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.529 ' HB2' ' HB3' ' A' ' 99' ' ' ASP 0.319 15.7 t70 -80.37 -90.9 0.06 Allowed 'General case' 0 C--O 1.206 -1.232 0 N-CA-C 118.587 2.81 . . . . 0.0 118.587 -166.189 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -122.32 -179.28 4.13 Favored 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 121.798 0.808 . . . . 0.0 112.177 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -89.03 92.9 9.41 Favored 'General case' 0 N--CA 1.512 2.634 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -63.25 129.07 38.71 Favored 'General case' 0 C--N 1.391 2.378 0 CA-C-O 125.131 2.396 . . . . 0.0 116.295 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 34.2 p -136.13 152.23 50.61 Favored 'General case' 0 CA--C 1.57 1.736 0 O-C-N 118.995 -2.316 . . . . 0.0 110.131 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.485 ' H ' ' CD ' ' A' ' 106' ' ' LYS 0.269 0.0 OUTLIER -71.15 -37.17 72.25 Favored 'General case' 0 CA--C 1.623 3.763 0 C-N-CA 128.155 2.582 . . . . 0.0 110.307 173.011 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -103.38 177.18 4.91 Favored 'General case' 0 CA--C 1.61 3.271 0 C-N-CA 126.119 1.768 . . . . 0.0 110.472 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.9 m -75.72 -19.22 59.23 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 33.0 p -42.01 -55.25 3.23 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 126.829 2.051 . . . . 0.0 115.465 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -90.84 -72.57 1.25 Allowed Glycine 0 C--O 1.2 -1.997 0 O-C-N 120.345 -1.472 . . . . 0.0 115.471 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.6 m -164.77 112.04 1.03 Allowed 'General case' 0 N--CA 1.484 1.241 0 O-C-N 119.974 -1.897 . . . . 0.0 108.345 171.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -67.34 115.92 7.52 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.322 32.6 tp -68.16 -29.39 68.26 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 115.234 -2.317 . . . . 0.0 115.821 176.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.45 -61.44 2.34 Favored 'General case' 0 N--CA 1.513 2.684 0 CA-C-N 121.201 1.819 . . . . 0.0 113.198 173.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 13.3 mt -49.57 -56.68 9.09 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.311 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . 0.296 86.2 t -61.53 -47.39 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.558 0 CA-C-O 113.845 -2.979 . . . . 0.0 112.986 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.67 -48.67 79.77 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 122.082 2.219 . . . . 0.0 110.621 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.45 -37.42 83.48 Favored 'General case' 0 CA--C 1.595 2.707 0 CA-C-N 124.364 3.256 . . . . 0.0 111.89 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -74.92 -49.29 20.74 Favored 'General case' 0 CA--C 1.586 2.332 0 CA-C-N 122.388 2.358 . . . . 0.0 113.421 177.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.64 -41.44 79.4 Favored 'General case' 0 N--CA 1.499 2.006 0 CA-C-O 116.182 -1.866 . . . . 0.0 113.665 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.6 mm -61.22 -35.6 67.05 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.683 0 CA-C-N 120.872 1.669 . . . . 0.0 108.748 170.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -57.3 -45.28 92.95 Favored Glycine 1 CA--C 1.585 4.466 0 CA-C-N 118.089 0.404 . . . . 0.0 113.539 173.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -59.54 -43.63 93.44 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 115.25 -2.31 . . . . 0.0 107.517 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 87' ' ' ALA . 12.9 m -66.47 -22.97 66.2 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 123.836 3.016 . . . . 0.0 117.126 174.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -96.42 -3.77 42.95 Favored 'General case' 0 CA--C 1.585 2.32 0 N-CA-C 118.227 2.677 . . . . 0.0 118.227 -178.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 134.77 -35.63 2.18 Favored Glycine 0 N--CA 1.506 3.316 0 N-CA-C 121.474 3.35 . . . . 0.0 121.474 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 73.8 mt -79.67 133.94 36.4 Favored 'General case' 0 CA--C 1.552 1.058 0 O-C-N 120.785 -1.421 . . . . 0.0 114.61 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.283 30.4 t80 -96.08 -102.9 0.17 Allowed 'General case' 0 N--CA 1.503 2.208 0 CA-C-O 115.134 -2.365 . . . . 0.0 110.617 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -126.07 117.68 23.7 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 t -95.6 119.17 33.62 Favored 'General case' 0 C--O 1.267 1.981 0 C-N-CA 124.35 1.06 . . . . 0.0 111.076 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -83.37 79.94 9.25 Favored 'General case' 0 CA--C 1.579 2.086 0 CA-C-O 121.873 0.844 . . . . 0.0 111.688 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -139.9 -45.14 0.43 Allowed 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 67.1 p 104.2 -65.41 0.0 OUTLIER 'General case' 0 N--CA 1.527 3.405 0 C-N-CA 126.988 2.115 . . . . 0.0 106.926 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . 0.299 3.1 pm0 -71.51 -20.37 62.06 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.91 7.8 0.63 Allowed 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . 0.255 63.8 tp 73.59 -55.56 0.67 Allowed 'General case' 0 N--CA 1.513 2.677 0 CA-C-N 121.388 1.904 . . . . 0.0 114.863 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 72.1 mmm -71.87 40.23 0.07 Allowed 'General case' 0 N--CA 1.514 2.743 0 CA-C-O 123.776 1.75 . . . . 0.0 115.566 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -87.64 136.13 33.26 Favored Pre-proline 0 N--CA 1.498 1.96 0 O-C-N 119.112 -2.242 . . . . 0.0 109.98 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -47.85 -28.94 10.63 Favored 'Trans proline' 0 CA--C 1.574 2.475 0 N-CA-C 121.114 3.467 . . . . 0.0 121.114 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.6 mt -121.53 140.08 52.67 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -79.22 120.19 23.37 Favored 'General case' 0 CA--C 1.583 2.215 0 CA-C-O 124.252 1.977 . . . . 0.0 108.875 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . 0.379 28.3 p-80 -90.49 -111.44 0.08 Allowed 'General case' 0 N--CA 1.5 2.064 0 CA-C-O 116.856 -1.545 . . . . 0.0 114.785 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.8 m -172.79 84.48 0.06 Allowed 'General case' 0 C--O 1.254 1.306 0 CA-C-N 121.621 2.009 . . . . 0.0 106.462 -176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.1 93.76 9.09 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 118.13 -2.856 . . . . 0.0 107.741 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 50.4 p -57.67 -43.59 85.15 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -98.87 86.13 3.43 Favored 'General case' 0 CA--C 1.556 1.186 0 CA-C-N 113.152 -1.84 . . . . 0.0 108.655 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.08 -16.66 33.59 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 66.3 p -66.48 -29.64 69.8 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.768 -1.207 . . . . 0.0 112.035 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -76.35 5.52 6.98 Favored 'General case' 0 N--CA 1.518 2.936 0 CA-C-N 120.161 1.346 . . . . 0.0 114.557 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -84.25 94.54 8.44 Favored 'General case' 0 C--O 1.207 -1.164 0 O-C-N 120.99 -1.069 . . . . 0.0 111.614 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -122.29 152.49 40.02 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.311 1.044 . . . . 0.0 109.622 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 87.6 mt -82.45 119.85 24.72 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.015 -1.678 . . . . 0.0 107.975 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 38.6 p -62.6 161.72 11.69 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 120.16 -1.588 . . . . 0.0 114.829 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -61.73 -35.97 79.61 Favored 'General case' 0 CA--C 1.588 2.415 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.512 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -50.09 -54.19 22.16 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 127.13 2.172 . . . . 0.0 113.111 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 160' ' ' ILE . 70.3 m-20 -63.77 -48.86 75.23 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-O 115.912 -1.994 . . . . 0.0 109.351 176.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ILE . . . . . . . . . . . . . 23.6 mt -54.16 -55.19 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 122.041 2.2 . . . . 0.0 110.91 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -55.19 -52.11 64.38 Favored 'General case' 0 N--CA 1.511 2.596 0 CA-C-N 119.442 1.019 . . . . 0.0 110.268 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -54.28 -51.85 48.21 Favored Glycine 0 CA--C 1.553 2.461 0 O-C-N 120.239 -1.538 . . . . 0.0 116.761 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 156' ' ' ASP 0.561 5.2 tt -77.93 -18.23 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.482 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -179.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -62.4 -48.12 81.12 Favored 'General case' 0 CA--C 1.596 2.733 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 165.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 97.5 p -73.06 -11.35 60.52 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 116.64 -1.647 . . . . 0.0 109.196 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.312 88.0 mt -91.24 -68.75 0.77 Allowed 'General case' 0 N--CA 1.516 2.836 0 CA-C-N 120.839 1.654 . . . . 0.0 110.931 178.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -89.12 -17.09 29.93 Favored 'General case' 0 CA--C 1.623 3.777 1 O-C-N 116.069 -4.144 . . . . 0.0 114.899 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLY . . . . . . . . . . . . . . . 103.2 121.54 4.95 Favored Glycine 0 CA--C 1.56 2.899 0 CA-C-O 117.478 -1.734 . . . . 0.0 110.866 -177.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -40.33 159.28 0.03 OUTLIER 'Trans proline' 0 N--CA 1.503 2.05 3 C-N-CA 125.899 4.399 . . . . 0.0 122.927 -176.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -73.32 139.13 28.58 Favored 'Trans proline' 1 CA--C 1.619 4.732 0 CA-C-N 121.482 1.565 . . . . 0.0 115.648 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 CA--C 1.589 3.255 0 CA-C-O 114.91 -2.204 . . . . 0.0 116.745 178.02 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ATT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_