data_6gms_residue ############################ # Computer software used # ############################ 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 6gms _Structure_validation_residue.Date_analyzed 2019-05-10 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.37 -34.08 77.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.935 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.63 -49.37 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 44.9 ttp180 -67.66 -37.38 82.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.385 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.3 -48.03 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.52 70.92 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.9 77.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.534 0.683 . . . . 0.0 109.665 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.5 mt -65.54 -33.57 76.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.92 176.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 51.1 m -63.9 -42.77 97.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.076 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.08 -35.93 79.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.5 tpp -60.33 -43.79 96.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.671 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.15 -39.22 93.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.431 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.8 mm-40 -66.87 -24.51 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.589 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 27.1 m -75.13 -32.73 61.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.206 0.527 . . . . 0.0 110.09 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.473 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 25.7 t80 -70.21 -34.65 73.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.806 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 54.9 t -45.9 -53.41 21.15 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.589 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.4 Cg_exo -57.79 -36.7 98.2 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.76 1.64 . . . . 0.0 112.587 177.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -71.66 -25.76 62.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.245 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -58.03 -47.1 84.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.249 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -53.15 -42.04 65.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.504 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.421 0.629 . . . . 0.0 110.338 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.99 -45.82 95.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.948 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.37 -41.22 85.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.348 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.87 -44.08 91.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.85 -60.77 3.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.588 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.37 -29.21 65.83 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.19 -47.82 12.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.764 0.316 . . . . 0.0 111.496 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -77.22 -43.3 34.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -89.6 -6.67 56.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.671 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.3 19.79 57.81 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.155 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.96 140.72 10.92 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.647 -1.264 . . . . 0.0 111.585 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.3 mt -78.48 -26.27 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.907 0.854 . . . . 0.0 109.319 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.0 t70 -61.98 -25.53 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.125 -175.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.0 p -87.65 -7.47 57.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.214 0.531 . . . . 0.0 111.447 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 m -89.11 57.64 4.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.215 -172.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -104.93 151.65 23.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.058 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.64 119.39 8.31 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.429 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 5.35 32.6 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.669 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -148.61 165.97 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.892 0.346 . . . . 0.0 110.315 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 53.46 39.47 30.01 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.85 -13.52 48.0 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.752 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 38.8 mt -82.48 127.45 70.7 Favored Pre-proline 0 N--CA 1.447 -0.575 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 33.7 Cg_exo -57.91 159.71 17.19 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.772 2.314 . . . . 0.0 112.427 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -76.71 141.79 69.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.757 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.07 122.97 12.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.221 1.947 . . . . 0.0 111.497 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -149.82 179.44 8.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.288 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 p -129.74 126.53 38.44 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.165 0.507 . . . . 0.0 110.925 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.2 p -80.31 177.0 9.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -55.01 -43.58 73.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.845 0.293 . . . . 0.0 111.642 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -88.08 -18.96 27.75 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.466 -0.493 . . . . 0.0 112.085 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.442 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 57.0 t -81.42 127.43 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.143 0.496 . . . . 0.0 110.419 -176.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -85.98 -43.49 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.516 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.68 143.47 1.71 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.711 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 87' ' ' SER . 11.1 ptp -159.8 140.52 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.539 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 16.5 m -126.92 148.44 50.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.68 112.56 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.98 110.82 9.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 0.0 110.617 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 59.4 mmtt 54.22 40.18 31.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.419 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.08 -24.52 6.06 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.06 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.69 136.64 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 80' ' ' SER . 29.3 m -133.44 122.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.515 0.674 . . . . 0.0 110.448 -175.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 79' ' ' MET . 4.6 p -101.67 126.25 48.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.847 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -102.93 126.96 50.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.882 -1.053 . . . . 0.0 108.253 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -121.33 135.21 55.12 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.867 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.15 39.52 42.27 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.358 -0.837 . . . . 0.0 113.662 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 20.5 tp60 -82.48 127.1 32.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -174.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 60.68 -141.27 0.54 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.22 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -63.74 -12.67 36.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 49.5 mt -81.25 37.44 0.45 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 111.284 -171.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -54.73 132.84 46.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.67 -20.55 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.708 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 130' ' ' CYS . 9.8 tt -87.82 143.28 27.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.201 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 18.8 m -128.96 125.07 36.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.995 176.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 87' ' ' SER . 63.7 t -100.24 130.48 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.11 104.81 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.902 0.382 . . . . 0.0 110.423 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.508 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 39.7 tpp -91.24 110.9 22.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.608 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.3 m -115.43 93.79 37.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.701 0.286 . . . . 0.0 111.398 -176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.448 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 38.0 Cg_endo -68.09 135.86 36.01 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.802 2.334 . . . . 0.0 112.603 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.776 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.681 176.758 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.786 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.508 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 22.2 m-90 -109.91 122.28 47.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.747 0.273 . . . . 0.0 110.544 -178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.48 133.33 36.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.125 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtm-85 -115.86 142.07 47.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.928 0.394 . . . . 0.0 111.45 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -145.84 140.04 26.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.698 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.1 m -107.65 116.32 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.449 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -110.41 102.29 10.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.135 0.493 . . . . 0.0 109.77 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.6 tp -138.49 100.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.455 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -75.82 -34.9 60.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.8 p -95.93 -9.52 31.04 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -142.81 85.92 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -60.67 -28.02 68.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.633 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.3 85.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.947 0.403 . . . . 0.0 111.388 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.74 -32.1 70.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.126 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.529 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 7.3 tt0 -63.01 -40.75 98.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.187 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.2 -36.92 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.356 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.78 -48.34 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.563 ' SG ' HD12 ' A' ' 97' ' ' LEU . 20.7 p -70.88 -42.18 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.307 -175.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 7.8 pt-20 -62.4 -23.79 67.02 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.032 0.208 . . . . 0.0 110.947 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.2 -49.43 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.917 0.389 . . . . 0.0 110.423 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.7 t -82.88 -46.51 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.27 0.557 . . . . 0.0 111.207 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -85.82 24.07 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.781 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 . . . . . 0 C--O 1.236 0.352 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.609 -170.183 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 31.0 p30 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -74.02 -40.79 62.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.442 -172.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.38 -34.3 74.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.207 0.527 . . . . 0.0 109.766 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.8 ttp180 -67.45 -33.5 75.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 176.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 65.5 mttm -56.6 -50.43 71.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.195 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.89 82.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -62.34 -45.63 92.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.606 . . . . 0.0 110.132 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.5 mt -67.85 -32.66 73.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.031 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.1 m -64.65 -36.98 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.82 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.04 -39.14 83.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.83 -39.84 95.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.063 176.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.69 -43.0 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.33 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -68.65 -27.48 66.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.529 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.603 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 41.8 m -75.27 -30.52 60.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.301 0.572 . . . . 0.0 110.059 173.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.427 ' CE1' ' HG2' ' A' ' 101' ' ' MET . 39.4 t80 -70.31 -34.23 72.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.951 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.519 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 77.9 t -50.16 -50.79 67.75 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.603 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.2 Cg_exo -56.68 -31.8 88.71 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.968 1.779 . . . . 0.0 112.955 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.24 -31.55 62.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.46 0.647 . . . . 0.0 109.631 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 98.8 mtt180 -58.55 -36.15 73.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.615 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.514 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.9 m -52.01 -42.49 63.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.121 0.263 . . . . 0.0 111.207 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 110.065 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.15 -42.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.16 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 43.2 mt-10 -65.58 -39.74 91.96 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -58.98 -44.25 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.381 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.25 -52.82 60.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.127 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.643 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -55.52 -27.9 51.52 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.705 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.43 -39.18 22.97 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.092 -0.38 . . . . 0.0 111.413 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.71 -44.34 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.767 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -107.63 -13.73 14.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 110.941 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 65.73 -20.46 0.15 Allowed Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.442 -0.799 . . . . 0.0 114.079 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.65 145.74 16.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 119.668 -1.253 . . . . 0.0 113.079 164.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.592 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 31.7 mt -73.22 -3.51 27.17 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.021 0.528 . . . . 0.0 111.239 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.501 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 4.2 m-20 -48.89 -36.95 18.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.186 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -95.19 4.72 53.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 30.6 m -94.26 56.96 2.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.504 0.668 . . . . 0.0 109.691 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -104.1 137.58 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.791 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.09 102.68 1.19 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.573 -0.823 . . . . 0.0 111.623 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.8 0.25 7.17 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.765 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.2 p -148.1 169.59 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.899 0.35 . . . . 0.0 110.469 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 58.71 34.17 23.59 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.743 0.417 . . . . 0.0 112.121 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.07 -18.86 33.63 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.478 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.9 mt -81.36 126.1 77.34 Favored Pre-proline 0 N--CA 1.448 -0.563 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.3 147.31 47.15 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.431 2.087 . . . . 0.0 112.44 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.2 m -46.49 136.52 7.29 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.238 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.29 135.76 53.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.98 2.453 . . . . 0.0 112.177 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 t -133.8 174.7 10.17 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 p -128.82 126.51 40.0 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.024 0.44 . . . . 0.0 110.395 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' HG22 ' A' ' 76' ' ' VAL . 52.9 p -72.14 177.53 4.37 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -55.02 -42.92 73.2 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.254 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -86.82 -18.52 30.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.442 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 72.1 t -82.08 129.51 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.176 0.513 . . . . 0.0 110.428 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 t -89.31 -40.31 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.924 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.0 139.36 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.421 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.9 ptm -166.93 143.68 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.365 0.416 . . . . 0.0 110.597 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -137.47 153.58 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.21 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.0 116.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.071 -176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -133.73 111.66 10.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 34.5 mmtp 53.47 42.61 31.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.104 -177.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.96 -23.75 3.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-N 116.444 -0.343 . . . . 0.0 112.967 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 52.3 t -66.22 139.18 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.2 t -135.55 110.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.967 0.413 . . . . 0.0 109.903 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 9.0 t -105.15 132.29 51.55 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.331 0.586 . . . . 0.0 111.073 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.93 142.43 45.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 m -123.48 130.28 52.46 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.96 0.409 . . . . 0.0 111.683 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 49.66 46.27 38.5 Favored Glycine 0 C--N 1.332 0.314 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.709 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.533 ' NE2' ' HG3' ' A' ' 92' ' ' GLU . 46.4 tp60 -69.81 124.28 23.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.534 0.207 . . . . 0.0 110.92 -175.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HG3' ' NE2' ' A' ' 91' ' ' GLN . 44.9 mt-10 46.02 -117.29 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.142 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 m -74.38 -14.34 60.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.588 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.492 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 58.4 mt -84.94 38.74 0.72 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.272 0.558 . . . . 0.0 110.364 -172.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.8 136.27 55.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.568 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.49 -18.94 16.28 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.659 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.7 tt -88.2 137.74 32.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 m -115.31 125.53 53.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.407 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 87' ' ' SER . 36.6 t -101.84 133.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.71 105.55 16.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.33 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.427 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 35.5 tpp -89.52 110.54 21.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 m -116.08 106.59 49.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.608 0.242 . . . . 0.0 111.513 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.33 140.35 69.97 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 123.039 2.492 . . . . 0.0 112.413 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.387 178.755 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.931 0 N-CA-C 112.143 -0.383 . . . . 0.0 112.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -116.77 128.73 55.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.79 124.8 33.99 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 134' ' ' PHE . 65.7 mtm180 -109.4 140.88 42.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.812 -173.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -144.1 130.2 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.012 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 82.2 m -108.96 115.21 29.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -110.82 105.0 13.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.028 0.442 . . . . 0.0 110.871 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.66 104.48 4.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.357 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.29 -38.21 63.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -169.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.2 p -95.67 -8.81 33.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -139.89 88.41 2.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.743 -170.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 39.8 m -60.64 -26.66 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.212 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.6 98.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.65 -33.2 74.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 109.823 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.48 -39.62 94.92 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.302 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 124' ' ' SER . 27.3 mm-40 -59.62 -38.31 80.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.991 0.424 . . . . 0.0 110.889 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.87 -48.15 26.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.926 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.19 -52.54 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.394 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.5 tt0 -64.47 -22.82 67.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.042 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.42 -49.19 78.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 0.0 109.806 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.1 t -83.89 -48.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.518 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.583 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 92.7 m-85 -90.75 24.72 2.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.402 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 27.4 ptt180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.069 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -62.92 -40.02 96.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.534 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.76 -41.9 71.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.986 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 25.0 ttp180 -62.84 -40.18 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.24 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.67 -47.58 77.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.37 78.1 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.309 0.576 . . . . 0.0 110.132 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 87.3 mt -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.474 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 86.9 m -64.56 -39.93 94.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.082 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.53 -38.67 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.974 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.878 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.64 -41.83 91.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 34' ' ' THR . 30.6 mm-40 -64.53 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.602 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 m -75.35 -22.72 57.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.465 0.65 . . . . 0.0 110.403 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 30.2 t80 -70.44 -34.17 72.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.846 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.556 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 98.0 t -54.38 -50.63 83.95 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.984 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 50.9 Cg_exo -56.22 -24.54 51.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.27 1.98 . . . . 0.0 113.109 173.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.41 ' HD1' ' O ' ' A' ' 39' ' ' THR . 30.5 m-85 -76.12 -39.45 55.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 5.7 mmp_? -58.27 -44.17 88.27 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.451 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.489 ' O ' HD22 ' A' ' 49' ' ' LEU . 13.2 m -50.77 -39.61 52.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.74 78.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.532 0.682 . . . . 0.0 110.553 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.4 -48.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.058 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 64.1 mm-40 -65.13 -37.48 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.908 0.385 . . . . 0.0 110.516 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' O ' ' A' ' 45' ' ' THR . 4.2 mm? -66.71 -36.21 81.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.439 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.6 t -65.88 -47.59 74.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.826 173.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -57.32 -24.25 53.86 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.619 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 tp -82.74 -39.77 21.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.949 0.404 . . . . 0.0 110.804 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -43.25 86.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.896 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -107.4 -12.47 15.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.379 0.609 . . . . 0.0 110.216 -176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 70.86 -21.47 0.6 Allowed Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.179 -0.918 . . . . 0.0 113.044 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.53 152.76 17.33 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.859 163.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 50.6 mt -73.42 -3.38 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.845 0.458 . . . . 0.0 111.433 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 6.7 m-20 -49.66 -40.39 39.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.319 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 p -86.85 -5.71 59.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.108 0.48 . . . . 0.0 111.631 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.429 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 29.3 m -91.67 57.0 3.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.378 0.608 . . . . 0.0 110.346 -173.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.581 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t70 -112.59 151.82 29.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.013 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.67 93.0 0.45 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.08 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.18 3.73 3.85 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.119 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -148.37 158.49 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.373 0.586 . . . . 0.0 111.476 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.58 47.35 18.72 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.914 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.21 -19.06 37.21 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.958 175.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -92.41 117.69 67.74 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.69 165.19 33.43 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.435 2.09 . . . . 0.0 112.438 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -45.99 142.06 4.1 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.177 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.79 134.72 64.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.081 2.521 . . . . 0.0 111.888 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -139.38 -179.96 6.19 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.9 p -132.08 126.54 34.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.12 0.485 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -77.3 176.5 8.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.17 -44.54 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -168.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -97.98 10.54 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.804 -0.56 . . . . 0.0 112.295 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.68 132.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.847 0.356 . . . . 0.0 110.126 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 m -87.07 -45.63 10.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.07 134.2 1.23 Allowed 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.056 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.6 ptm -158.53 141.5 14.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.424 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.2 t -130.99 147.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.0 119.7 60.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -133.75 108.85 8.74 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.4 mmtp 48.58 49.21 18.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.668 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.75 -24.31 4.53 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.349 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -70.7 142.63 15.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 25.4 m -133.35 117.09 26.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.492 0.663 . . . . 0.0 110.596 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 79' ' ' MET . 13.5 p -104.78 128.88 53.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.486 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.28 149.82 38.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.277 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.6 m -137.57 141.84 41.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.18 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.02 41.7 22.14 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.311 -0.859 . . . . 0.0 113.901 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.473 HE21 ' HG2' ' A' ' 92' ' ' GLU . 27.2 tp60 -73.9 123.14 23.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.786 0.293 . . . . 0.0 110.551 -174.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.473 ' HG2' HE21 ' A' ' 91' ' ' GLN . 21.8 mm-40 48.14 -120.92 1.31 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.741 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.6 t -74.89 -13.63 60.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 111.28 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 71.1 mt -81.44 39.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.261 0.553 . . . . 0.0 110.535 -174.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -57.1 134.34 55.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.13 -16.18 34.78 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.617 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.3 tt -96.24 135.33 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.32 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.2 t -114.7 135.25 54.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.808 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 46.4 t -112.02 124.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.91 108.81 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.596 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 52.2 tpp -94.21 110.35 22.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.6 m -114.46 105.4 53.78 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.118 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.83 131.68 24.73 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.512 2.142 . . . . 0.0 111.418 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.728 -178.719 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.596 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 6.0 m-90 -88.99 123.56 33.43 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -95.77 135.84 36.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.645 0.259 . . . . 0.0 110.753 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.552 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -108.49 142.06 39.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.45 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 47.3 t-20 -142.08 120.17 12.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.267 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.1 m -105.63 115.47 30.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.15 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -108.09 102.27 11.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.6 tp -137.14 106.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.693 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.94 -38.62 64.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.8 p -97.12 -22.64 16.64 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -169.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.448 ' H ' HG13 ' A' ' 120' ' ' ILE . 13.1 m-20 -129.43 96.29 4.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.2 t -61.0 -29.3 69.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.313 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.31 83.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.742 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.48 -36.27 80.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.269 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 45.2 tt0 -62.24 -44.44 96.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 49.2 mt-30 -57.59 -32.08 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.24 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.12 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.477 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 30.5 p -70.52 -48.13 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.381 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 10.3 pt-20 -63.03 -25.24 68.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.714 0.292 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 19.7 t70 -69.71 -43.3 72.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 135' ' ' ARG . 88.9 t -82.59 -43.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.189 0.518 . . . . 0.0 111.183 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.23 21.81 0.88 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.065 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.47 ' H ' ' C ' ' A' ' 133' ' ' VAL . 6.1 ptm180 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.492 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 121.052 0.453 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 76.2 t80 -64.77 -36.37 84.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.05 -38.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 0.0 109.987 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.82 -34.15 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.36 176.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 27' ' ' TYR . 66.0 mttm -57.87 -49.17 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.325 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' ' HB ' ' A' ' 34' ' ' THR . . . -61.14 -26.35 67.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.826 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.56 96.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.101 0.477 . . . . 0.0 110.028 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 HD23 HD11 ' A' ' 94' ' ' LEU . 1.7 mm? -68.23 -31.78 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.068 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 31' ' ' ALA . 69.8 m -58.31 -45.94 87.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.07 -38.31 85.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 tpt -66.75 -40.6 88.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.413 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 41' ' ' VAL . 19.7 tp -63.02 -40.8 98.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.104 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 34' ' ' THR . 83.1 mm-40 -67.18 -23.31 65.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.041 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.6 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 46.7 m -75.46 -34.47 60.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -70.22 -34.81 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.501 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 60.5 t -46.91 -53.16 28.34 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HD2' ' O ' ' A' ' 39' ' ' THR . 31.5 Cg_exo -58.52 -33.41 98.02 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 112.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 47' ' ' VAL . 82.2 m-85 -72.24 -27.23 62.38 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.7 mtm180 -55.72 -47.74 76.36 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.622 0.249 . . . . 0.0 110.399 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.439 ' O ' HD21 ' A' ' 49' ' ' LEU . 12.4 m -52.63 -42.16 64.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.372 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.81 86.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.688 0.756 . . . . 0.0 110.061 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 43' ' ' TYR . 73.0 t -63.56 -38.86 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.482 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 48.7 mt-10 -61.36 -43.09 99.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.978 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -61.26 -45.01 96.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.8 t -68.52 -36.13 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.788 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.17 76.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -81.94 -25.4 34.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.922 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.12 -44.57 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.035 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -109.41 -12.97 14.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.351 0.596 . . . . 0.0 110.787 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.16 -18.72 12.32 Favored Glycine 0 N--CA 1.454 -0.149 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.72 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.48 151.41 18.31 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.107 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.56 -2.43 22.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.958 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 30.5 t70 -52.2 -30.22 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 p -90.01 -3.87 57.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -89.43 67.93 7.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.436 0.636 . . . . 0.0 111.056 -174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -102.85 137.6 40.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.514 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.83 108.95 2.47 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.718 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.39 -3.42 18.21 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.128 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -135.47 167.03 21.83 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.682 -0.305 . . . . 0.0 110.703 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 55.92 37.42 28.83 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.25 -2.81 60.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.689 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 56.4 mt -87.29 128.68 54.36 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 31.2 Cg_exo -59.88 164.44 11.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.749 2.299 . . . . 0.0 112.34 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -84.37 147.93 51.29 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.471 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.404 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 28.1 Cg_endo -62.71 124.55 14.31 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.85 1.7 . . . . 0.0 111.512 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -136.61 169.52 17.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.4 p -118.56 124.25 47.04 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.171 0.51 . . . . 0.0 110.518 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -82.02 177.99 8.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.374 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -53.58 -42.82 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -174.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' HB3' ' CG ' ' A' ' 92' ' ' GLU . 31.6 m-85 -92.53 -16.04 26.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.14 122.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 122.012 -0.43 . . . . 0.0 110.434 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -86.08 -31.02 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.442 ' HB1' ' HB ' ' A' ' 89' ' ' THR . . . -162.39 145.31 11.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.973 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.499 ' HA ' ' O ' ' A' ' 87' ' ' SER . 4.8 ppp? -170.19 142.78 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.725 0.64 . . . . 0.0 110.151 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 17.8 t -144.21 155.32 43.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.598 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -114.8 117.05 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.751 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.95 110.94 11.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.136 0.493 . . . . 0.0 110.31 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 31.4 mmtp 51.84 44.65 29.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.948 -178.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.41 -24.93 3.97 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.312 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.23 141.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 80' ' ' SER . 22.0 m -133.2 113.89 20.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.473 0.654 . . . . 0.0 110.487 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' A' ' 79' ' ' MET . 21.1 t -104.12 123.02 46.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.812 177.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.59 158.19 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.128 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.442 ' HB ' ' HB1' ' A' ' 78' ' ' ALA . 15.9 m -144.8 146.04 31.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.681 0.276 . . . . 0.0 110.806 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 52.47 47.92 55.96 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.261 -0.881 . . . . 0.0 115.09 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.473 HE22 ' HG3' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -71.35 122.86 21.07 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 75' ' ' TYR . 34.8 mt-10 43.03 -115.39 0.36 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -175.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 m -74.18 -13.65 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.459 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.466 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 58.6 mt -85.19 38.54 0.73 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.087 -171.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.461 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 7.6 p30 -55.16 139.15 42.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.84 -23.87 5.55 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.971 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 10.0 tt -80.22 132.4 35.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 m -114.8 132.36 56.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.184 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.79 126.36 64.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.23 105.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.509 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 45.4 ttm -101.6 114.64 28.86 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.075 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.4 ' HB ' ' HB1' ' A' ' 115' ' ' ALA . 11.4 m -107.4 93.14 9.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.191 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 101' ' ' MET . 19.0 Cg_exo -65.81 145.75 81.53 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.588 2.192 . . . . 0.0 111.687 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.918 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.642 176.313 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.695 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -132.97 122.8 24.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.943 0.371 . . . . 0.0 110.532 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' ' 102' ' ' THR . . . -90.45 113.01 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -110.0 121.01 44.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -118.62 121.02 39.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.525 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 72.3 m -103.69 116.21 31.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -118.98 104.36 10.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.58 100.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.28 -38.29 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -167.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 t -89.7 -23.3 21.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -132.34 92.56 3.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.8 m -61.33 -27.59 68.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.708 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.68 76.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.068 0.461 . . . . 0.0 111.337 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.54 -32.94 70.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 109.833 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -63.44 -37.22 86.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.652 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -54.37 -36.15 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.293 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.17 -47.04 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.33 -52.16 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.029 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.15 -25.85 67.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.509 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.71 -52.12 66.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.911 0.386 . . . . 0.0 110.62 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.64 -46.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.325 -178.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.464 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 96.0 m-85 -87.22 22.63 2.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.209 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.593 -175.412 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 120.98 0.419 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -62.03 -33.94 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 -174.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.1 -41.44 86.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.51 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.3 ttm180 -66.94 -38.57 86.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.108 176.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.92 -44.41 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.127 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.55 74.81 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.06 81.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.459 0.647 . . . . 0.0 109.595 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.2 mt -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.79 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -69.59 -37.6 76.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.25 -46.6 83.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.311 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.411 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 20.1 ptm -67.09 -35.56 80.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.111 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' ' 41' ' ' VAL . 23.5 tp -63.56 -42.24 98.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.294 175.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -65.64 -22.95 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.403 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.564 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.8 m -73.83 -37.28 64.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.399 0.618 . . . . 0.0 109.919 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.46 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 37.0 t80 -70.89 -34.34 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.233 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.0 t -47.23 -52.61 33.96 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 39' ' ' THR . 40.3 Cg_exo -58.32 -36.02 98.09 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.826 1.684 . . . . 0.0 112.39 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.468 ' O ' HG23 ' A' ' 47' ' ' VAL . 52.5 m-85 -68.51 -28.04 66.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.982 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 52.6 mtm180 -58.24 -46.24 86.29 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD22 ' A' ' 49' ' ' LEU . 30.9 m -53.32 -44.1 68.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.454 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.24 85.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.424 0.63 . . . . 0.0 110.183 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 43' ' ' TYR . 76.4 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.98 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.0 -41.25 97.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.473 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -65.22 -41.77 94.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.411 ' SG ' HG23 ' A' ' 59' ' ' THR . 27.8 t -63.55 -50.65 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.991 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.15 -30.56 49.57 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.931 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -26.47 59.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.999 0.428 . . . . 0.0 110.784 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.66 -46.38 69.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -110.29 -12.48 14.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.131 0.491 . . . . 0.0 111.298 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 -19.94 12.8 Favored Glycine 0 C--N 1.321 -0.253 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.057 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.37 159.68 18.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.321 -0.942 . . . . 0.0 113.215 165.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.2 mt -74.04 -2.81 25.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.419 0.688 . . . . 0.0 112.329 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.99 -38.39 36.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.411 HG23 ' SG ' ' A' ' 50' ' ' CYS . 8.9 t -82.31 -3.21 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 36.7 m -97.72 60.8 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.273 0.558 . . . . 0.0 110.953 -174.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.96 143.15 42.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.987 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.32 118.54 11.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.235 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.84 16.62 47.58 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.411 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.8 t -135.1 147.05 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 54.55 38.5 29.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.12 -10.41 53.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.764 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 67.1 mt -71.67 131.55 86.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 45.7 Cg_exo -57.64 169.39 2.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.995 2.463 . . . . 0.0 112.866 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 p -91.47 152.01 43.18 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.302 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -49.03 124.81 12.07 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.804 2.336 . . . . 0.0 111.646 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.9 t -143.31 171.35 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.973 -172.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.0 p -138.04 144.71 41.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.112 0.482 . . . . 0.0 110.837 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 p -88.54 177.89 6.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -53.37 -41.81 66.23 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -171.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.4 25.06 10.07 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.133 -0.354 . . . . 0.0 111.799 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 93.3 t -116.88 131.82 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 109.947 174.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 m -82.65 -52.28 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.741 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.46 140.15 9.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.86 -0.155 . . . . 0.0 110.87 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.1 mtp -141.3 140.83 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.087 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 55.3 m -130.92 136.91 49.02 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.98 118.65 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.28 109.67 6.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.114 0.483 . . . . 0.0 110.117 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 49.6 48.62 21.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.039 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.81 -24.38 3.87 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.468 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.16 130.69 35.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.6 m -127.91 120.12 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.551 0.691 . . . . 0.0 110.364 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.1 t -104.26 130.93 52.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.743 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 135.06 54.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.686 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 m -121.08 139.0 53.92 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.912 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.66 46.51 30.57 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.861 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.484 HE21 ' HG2' ' A' ' 92' ' ' GLU . 32.1 tp60 -76.83 125.2 28.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.688 0.244 . . . . 0.0 110.903 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.484 ' HG2' HE21 ' A' ' 91' ' ' GLN . 17.5 mm-40 50.47 -125.11 2.22 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.532 0.333 . . . . 0.0 111.473 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -71.01 -13.81 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.385 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.422 ' HA ' HD11 ' A' ' 126' ' ' LEU . 53.5 mt -85.08 38.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.483 -172.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -53.38 132.38 39.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.653 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.67 -21.53 22.01 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.635 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.4 tt -86.28 130.94 34.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.2 m -113.43 120.96 42.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.7 t -92.47 129.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.35 105.07 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.46 ' HG2' ' CE2' ' A' ' 40' ' ' PHE . 40.1 tpp -94.72 110.84 22.64 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 35.6 m -112.02 96.06 32.42 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.947 0.403 . . . . 0.0 110.957 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 101' ' ' MET . 16.5 Cg_exo -67.55 160.69 46.84 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.952 2.435 . . . . 0.0 112.098 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.673 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.898 175.401 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.551 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 17.7 m-90 -121.01 123.22 41.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.226 0.513 . . . . 0.0 111.663 -175.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.26 113.63 24.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.434 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 80.8 mtm180 -109.95 131.42 55.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.571 -174.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -144.49 132.61 21.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.84 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.2 m -104.96 116.44 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.922 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -105.36 103.83 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.476 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.9 tp -136.26 105.33 4.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.644 174.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -74.09 -40.65 62.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.4 t -108.82 15.42 23.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -170.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.476 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 9.8 m-20 -147.95 82.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.114 -0.366 . . . . 0.0 111.472 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.63 -31.47 70.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.119 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.45 96.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 0.0 111.17 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 94' ' ' LEU . 90.1 mt -67.81 -32.45 73.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.14 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 9.9 tt0 -65.32 -45.2 85.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.315 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -52.78 -41.22 63.9 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.234 0.334 . . . . 0.0 111.806 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.75 -46.97 33.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.084 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.35 -52.27 54.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 3.7 pt-20 -65.12 -23.65 67.2 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.862 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.83 -43.08 76.28 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.778 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -83.33 -47.21 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.442 0.639 . . . . 0.0 111.172 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -87.01 26.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.875 0.87 . . . . 0.0 110.99 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 18.4 ptp180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 122.028 0.918 . . . . 0.0 113.256 -169.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -66.02 -36.08 82.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.93 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.38 -40.74 81.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.052 0.453 . . . . 0.0 109.785 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.3 ttm180 -66.58 -38.83 87.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.925 174.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -56.97 -49.34 76.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.578 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.73 -38.52 75.46 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.559 0.219 . . . . 0.0 111.56 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.77 86.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 73.5 mt -68.28 -38.97 82.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.088 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 34.5 m -65.25 -38.76 91.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.67 -39.53 84.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.7 tpt -61.52 -41.91 98.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.3 tm? -62.63 -47.24 84.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.594 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.1 mm-40 -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.518 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.6 m -75.42 -28.45 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.35 0.595 . . . . 0.0 110.7 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 9.3 t80 -71.1 -34.89 71.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.232 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.496 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.6 t -53.72 -48.61 92.77 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.518 ' HD2' ' O ' ' A' ' 39' ' ' THR . 64.9 Cg_exo -53.33 -28.97 45.65 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.319 2.013 . . . . 0.0 113.087 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -75.69 -39.8 56.88 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.594 0.711 . . . . 0.0 109.147 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.57 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 18.4 mmm180 -60.28 -40.87 91.95 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.873 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.483 ' O ' HD22 ' A' ' 49' ' ' LEU . 26.1 m -51.64 -42.18 61.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.73 92.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.594 0.711 . . . . 0.0 110.295 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.76 -40.05 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 70.1 mm-40 -66.61 -34.75 78.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.944 0.402 . . . . 0.0 110.28 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 45' ' ' THR . 2.9 mm? -66.18 -45.37 81.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.808 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 p -70.0 -36.13 74.9 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.729 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.79 65.19 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.483 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.19 -31.42 38.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.37 -33.99 76.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.983 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -108.97 -12.95 14.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.4 0.619 . . . . 0.0 110.317 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.24 -19.42 5.6 Favored Glycine 0 CA--C 1.52 0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.828 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.26 151.5 17.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.215 162.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.75 -2.19 22.34 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 111.598 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 20.2 t70 -48.1 -35.26 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -76.22 -10.6 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -93.38 69.25 4.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.375 0.607 . . . . 0.0 110.846 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.27 131.3 46.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.398 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.69 88.18 0.36 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.372 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.67 -1.61 4.37 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.468 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -140.65 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.901 0.351 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 54.67 39.3 31.18 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.89 20.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.73 121.45 81.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -77.03 149.48 28.75 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.051 1.834 . . . . 0.0 112.265 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -45.55 136.95 5.62 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' ' 80' ' ' SER . 9.1 Cg_endo -50.17 123.7 11.5 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.264 2.643 . . . . 0.0 112.515 -172.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -95.04 128.58 41.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.305 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 p -103.28 127.08 50.71 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.219 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.554 ' OG1' HG22 ' A' ' 76' ' ' VAL . 28.4 p -80.14 177.44 8.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.301 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.508 ' H ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -53.84 -35.14 61.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -95.71 -14.92 23.0 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.554 HG22 ' OG1' ' A' ' 73' ' ' THR . 88.7 t -81.46 122.92 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.475 0.655 . . . . 0.0 110.219 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -86.32 -43.35 12.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.299 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -168.94 139.69 2.39 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.221 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.4 ptm -165.9 140.59 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.827 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.522 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 37.2 m -131.14 149.79 52.43 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.03 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.4 109.28 10.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.034 0.445 . . . . 0.0 109.959 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 72.5 mmtt 51.37 43.11 29.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.852 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.13 -24.2 4.85 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.421 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.79 137.17 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 80' ' ' SER . 59.5 t -134.12 115.15 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.979 0.418 . . . . 0.0 110.204 -173.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 13.9 m -103.0 122.55 44.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.754 176.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mp -115.54 119.4 36.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.175 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.0 m -114.82 143.7 44.68 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.915 0.388 . . . . 0.0 111.881 -172.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.5 44.39 36.81 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 114.982 -1.008 . . . . 0.0 114.111 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -86.5 127.44 34.87 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 60.74 -139.4 0.57 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.4 m -65.9 -13.15 59.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.872 0.367 . . . . 0.0 111.474 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.6 mt -82.11 39.1 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.164 -171.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -55.36 135.89 49.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.33 -15.65 33.36 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.716 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -91.33 137.3 32.47 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -123.63 121.24 35.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.843 0.354 . . . . 0.0 110.094 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 50.4 t -91.34 130.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.45 103.62 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.601 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 17.2 ttt -96.02 110.38 22.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.283 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.0 m -107.53 94.2 11.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.294 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 114' ' ' TRP . 81.8 Cg_endo -77.88 162.41 29.49 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.402 2.735 . . . . 0.0 113.514 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.217 174.745 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.601 ' CD1' ' HE2' ' A' ' 101' ' ' MET . 19.8 m-90 -142.35 122.07 13.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.29 112.8 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -110.42 131.92 54.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.977 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 16.7 t-20 -142.03 134.05 27.45 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.655 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 85.0 m -102.79 116.08 31.87 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -107.24 104.4 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.883 0.373 . . . . 0.0 110.503 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 6.1 tp -136.17 102.08 2.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.356 0.598 . . . . 0.0 109.583 174.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -73.55 -38.37 65.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -167.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.9 p -99.99 -2.98 33.13 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -171.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.484 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.4 m-20 -139.84 83.53 1.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.737 -171.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 m -60.6 -28.42 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.37 85.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.36 -35.65 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.161 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.26 -43.12 99.55 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.814 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.87 -50.39 63.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 0.0 110.386 -176.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.52 -40.32 70.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.348 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.72 -47.46 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.756 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.85 -25.47 65.06 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.484 0.714 . . . . 0.0 110.884 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -69.21 -50.84 43.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.008 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.7 -47.93 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.46 0.648 . . . . 0.0 111.586 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.429 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.6 m-85 -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 110.856 -176.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 114.864 -1.062 . . . . 0.0 113.285 -173.253 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.1 m120 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.17 -38.51 83.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.592 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.32 -46.37 90.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.186 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.4 ttp180 -67.85 -36.3 80.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.773 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 95.3 mttt -59.73 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.29 -37.66 72.76 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.42 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.43 0.633 . . . . 0.0 109.708 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 59.6 mt -68.73 -31.95 71.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.888 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 76.5 m -65.11 -42.61 93.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.38 -36.52 84.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.0 0.428 . . . . 0.0 110.395 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.43 ' SD ' HG22 ' A' ' 76' ' ' VAL . 14.1 tpt -65.79 -41.86 91.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.051 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -42.87 95.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' THR . 33.2 mm-40 -61.29 -34.28 74.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.611 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.2 m -74.97 -29.55 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.194 0.521 . . . . 0.0 110.669 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 26.2 t80 -70.32 -33.7 71.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.597 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.1 t -45.95 -52.63 25.19 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.611 ' HD2' ' O ' ' A' ' 39' ' ' THR . 42.7 Cg_exo -56.79 -42.9 59.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.773 1.649 . . . . 0.0 112.342 176.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' O ' HG21 ' A' ' 47' ' ' VAL . 58.3 m-85 -58.63 -36.62 74.36 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -55.75 -51.29 67.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.469 ' O ' HD21 ' A' ' 49' ' ' LEU . 33.2 m -52.29 -43.57 64.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.33 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.96 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.077 0.465 . . . . 0.0 110.58 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 43' ' ' TYR . 70.6 t -64.58 -39.48 85.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.462 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.38 -38.13 84.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.006 0.432 . . . . 0.0 110.205 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -67.11 -45.68 76.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.502 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 27.6 p -72.06 -23.54 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.45 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.74 63.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.45 -27.61 62.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.54 -46.68 88.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -108.83 -12.65 14.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.437 0.637 . . . . 0.0 110.647 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.22 -20.07 3.36 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.193 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.09 145.24 18.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.262 -0.97 . . . . 0.0 112.818 163.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 mt -73.84 -3.07 26.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.796 0.438 . . . . 0.0 111.567 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 7.8 m-20 -48.53 -35.0 12.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.234 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.58 1.23 55.64 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.3 t -97.06 70.11 2.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.458 0.647 . . . . 0.0 109.481 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' OD1' ' HA ' ' A' ' 82' ' ' ALA . 17.7 t70 -114.01 147.29 38.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.077 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.82 103.55 0.72 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.077 -0.511 . . . . 0.0 113.082 -175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.08 17.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.07 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 p -143.14 161.13 39.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.025 0.413 . . . . 0.0 110.402 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 53.55 33.0 15.3 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.75 5.24 86.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.873 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.14 126.18 70.56 Favored Pre-proline 0 N--CA 1.449 -0.475 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.38 163.34 12.72 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.643 2.229 . . . . 0.0 112.937 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -87.26 128.99 53.24 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.053 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.05 125.7 19.63 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.123 2.548 . . . . 0.0 112.113 -175.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -143.19 -177.67 5.47 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.037 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.5 p -131.22 125.93 34.22 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.207 0.527 . . . . 0.0 111.282 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -81.17 178.37 8.44 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 171.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -52.97 -43.51 66.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -171.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -102.06 27.83 6.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 HG22 ' SD ' ' A' ' 36' ' ' MET . 91.1 t -115.69 129.91 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 m -88.08 -44.8 10.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.17 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.05 149.81 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.4 ptp -163.3 143.24 8.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.706 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 m -135.77 134.66 39.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.809 174.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -103.25 116.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . . . -132.85 110.59 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.425 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 30.0 mmtp 52.91 44.44 30.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.83 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.44 -24.7 3.53 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.089 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 56.0 t -66.45 142.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.67 109.5 17.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -104.86 127.76 52.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.026 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.84 148.97 37.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.116 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.4 m -123.65 128.78 50.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.979 0.419 . . . . 0.0 111.434 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 51.24 48.06 48.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.011 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.408 HE21 ' HG2' ' A' ' 92' ' ' GLU . 29.6 tp60 -72.58 126.16 29.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.695 0.283 . . . . 0.0 110.621 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HG2' HE21 ' A' ' 91' ' ' GLN . 19.6 mm-40 55.76 -138.39 1.04 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -64.48 -13.92 54.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.413 . . . . 0.0 111.405 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.0 mt -83.29 38.88 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 110.502 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -54.75 137.45 44.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.194 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.91 -25.49 9.79 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.817 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 51.1 tp -75.04 125.7 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.897 0.38 . . . . 0.0 111.127 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t -101.33 111.96 24.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.629 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.513 HG21 ' SG ' ' A' ' 118' ' ' CYS . 31.9 t -99.11 122.46 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.5 t -114.74 102.55 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.956 0.407 . . . . 0.0 110.209 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.491 ' HG2' ' CZ ' ' A' ' 40' ' ' PHE . 57.2 tpp -86.03 110.53 19.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 m -112.9 98.78 46.43 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.374 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.46 129.16 15.4 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.292 1.995 . . . . 0.0 110.784 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.662 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.132 -178.299 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -102.84 129.17 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 111.614 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.75 133.39 44.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.397 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 3.2 mpt_? -109.88 139.16 45.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 -176.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -144.38 112.96 6.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.479 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.513 ' SG ' HG21 ' A' ' 99' ' ' VAL . 3.7 m -103.94 116.58 32.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.3 102.89 12.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.5 tp -138.08 100.67 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.326 0.584 . . . . 0.0 109.643 173.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.6 65.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -169.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.7 p -87.89 -23.08 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.76 84.25 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.7 0.286 . . . . 0.0 111.701 -170.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.554 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 64.9 m -60.66 -22.59 64.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.92 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.68 75.8 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.9 mt -68.6 -38.17 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -65.01 -38.68 91.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 124' ' ' SER . 87.2 mm-40 -55.22 -44.08 75.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.28 73.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 1.7 t -62.86 -44.86 95.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 25.9 tt0 -55.75 -27.79 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.524 -178.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.98 -55.57 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.583 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.43 -49.49 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.645 0.736 . . . . 0.0 111.698 -175.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.448 ' HB2' ' SG ' ' A' ' 130' ' ' CYS . 87.4 m-85 -87.13 24.7 1.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.251 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 23.5 ptt180 . . . . . 0 C--O 1.238 0.461 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.985 -173.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 90.4 m-20 . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 120.557 0.217 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -58.44 -49.13 78.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.918 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.33 -37.6 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.8 ttm180 -67.56 -34.0 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.677 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 31.2 mmtp -55.28 -50.31 69.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.204 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.81 95.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.349 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -59.73 -45.23 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.219 0.533 . . . . 0.0 110.552 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 78.1 mt -65.74 -34.0 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.9 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -67.71 -36.99 81.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.264 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -67.4 -39.77 85.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.115 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.89 -40.75 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 41' ' ' VAL . 28.7 tp -63.47 -45.3 91.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.398 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.33 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.61 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 40.5 m -75.35 -31.08 60.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 110.485 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.531 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 45.9 t80 -71.12 -34.33 70.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.865 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.4 t -46.24 -52.84 25.99 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.61 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.9 Cg_exo -58.61 -30.24 91.5 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.889 1.726 . . . . 0.0 112.936 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -75.15 -26.06 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.687 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.6 mtm180 -59.65 -35.87 75.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.347 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.475 ' O ' HD23 ' A' ' 49' ' ' LEU . 14.5 m -51.01 -36.99 42.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.794 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.52 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.675 0.75 . . . . 0.0 110.312 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.08 -42.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.333 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 45.0 mm-40 -65.03 -41.65 95.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.788 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -61.14 -40.02 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.637 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.23 -49.03 77.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.529 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -62.16 -20.48 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.001 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 85.4 mt -82.85 -50.28 8.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.238 . . . . 0.0 111.486 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.27 -36.61 63.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.27 -171.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -103.0 -12.98 17.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.405 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.0 -21.07 0.2 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.99 -1.005 . . . . 0.0 114.376 177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.02 144.54 16.17 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 119.442 -1.361 . . . . 0.0 113.162 164.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.701 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 4.1 mt -75.06 -5.25 43.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.45 -32.19 66.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.147 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.7 p -83.91 -7.97 59.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.209 0.528 . . . . 0.0 111.419 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.701 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 56.1 m -86.61 67.28 9.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.334 0.588 . . . . 0.0 110.967 -172.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -109.43 140.45 43.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.5 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.15 118.22 12.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.969 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.64 4.2 43.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.716 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.4 p -145.36 168.11 21.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.98 0.39 . . . . 0.0 110.947 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 54.66 37.02 27.45 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.881 0.472 . . . . 0.0 112.157 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.19 -8.12 72.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.936 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mt -85.6 131.09 48.67 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.84 168.07 4.73 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.848 2.365 . . . . 0.0 112.477 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -73.61 139.57 77.84 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.025 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.58 123.32 12.5 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.096 1.864 . . . . 0.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p -145.35 -177.47 5.57 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.069 -175.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 23.4 p -131.38 127.16 36.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.0 p -71.7 177.34 4.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.334 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -54.51 -43.28 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.45 -17.1 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.459 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 55.2 t -81.67 131.2 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.091 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -40.32 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.015 -172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.35 143.94 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.203 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' O ' ' A' ' 87' ' ' SER . 10.4 ptp -164.55 140.37 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.131 0.491 . . . . 0.0 110.422 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.562 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 20.3 m -131.37 141.76 49.94 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.395 177.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.13 119.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.73 109.37 7.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp 53.93 39.72 30.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.906 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.15 -24.44 5.41 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.067 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 101' ' ' MET . 40.3 t -70.79 132.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.3 m -129.04 122.78 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.46 0.647 . . . . 0.0 110.6 -175.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.2 m -103.78 125.06 49.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.057 176.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.68 116.91 28.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.299 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.2 m -106.75 144.06 33.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.881 0.372 . . . . 0.0 111.352 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 50.13 46.05 42.8 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.008 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.459 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 27.7 tp60 -83.81 126.0 32.51 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HB3' ' H ' ' A' ' 93' ' ' SER . 19.2 mm-40 57.48 -143.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.89 -0.141 . . . . 0.0 110.734 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.482 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 17.8 t -63.15 -13.04 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.398 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 91' ' ' GLN . 60.0 mt -79.98 38.42 0.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.022 0.439 . . . . 0.0 110.925 -174.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.411 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 58.0 t30 -52.59 132.65 35.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.576 175.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.27 -22.25 20.53 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.354 -0.45 . . . . 0.0 112.504 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.0 tt -86.28 133.5 33.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.851 0.357 . . . . 0.0 110.236 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m -112.32 118.81 36.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.09 126.62 42.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.57 114.03 42.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.531 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 52.7 ttp -99.77 114.89 28.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.638 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 m -108.74 93.1 11.48 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.542 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.69 129.99 22.36 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.873 1.715 . . . . 0.0 111.239 172.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -177.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.897 0 N-CA-C 112.128 -0.389 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -129.35 124.28 33.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -89.97 135.71 33.48 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 134' ' ' PHE . 29.6 mmt180 -114.0 141.19 47.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.006 0.432 . . . . 0.0 111.931 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -145.69 137.84 25.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.462 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.7 m -114.92 115.04 26.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -109.52 103.37 12.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.533 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 127' ' ' GLN . 5.6 tp -138.08 96.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.221 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -75.17 -26.77 59.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -166.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.5 p -100.33 -10.45 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.407 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.8 m-20 -138.19 85.44 2.1 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.135 -0.353 . . . . 0.0 111.628 -170.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.6 m -61.05 -26.74 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.22 93.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.003 0.43 . . . . 0.0 111.031 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.59 -37.13 79.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.139 0.495 . . . . 0.0 109.79 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 120' ' ' ILE . 34.8 tt0 -62.06 -42.77 99.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.129 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -54.34 -41.73 69.41 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.676 0.61 . . . . 0.0 111.209 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.41 43.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.56 -46.05 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.77 -22.39 64.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.79 -53.32 28.06 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.153 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.17 -48.17 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.342 0.592 . . . . 0.0 111.134 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 97.6 m-85 -89.25 26.35 1.66 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.781 -176.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.127 -172.471 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 91.1 m-20 . . . . . 0 C--O 1.225 -0.227 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -59.5 -49.73 76.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.897 -172.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.16 -38.65 78.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HD3' ' HB2' ' A' ' 93' ' ' SER . 20.1 ttp180 -65.85 -32.74 74.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.547 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 67.8 mttm -58.02 -49.49 76.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.406 176.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.9 85.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.92 98.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.301 0.572 . . . . 0.0 110.028 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.55 -40.46 80.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.289 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 59.4 m -63.83 -41.05 97.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.577 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.15 -36.08 77.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.521 ' SD ' HG23 ' A' ' 76' ' ' VAL . 11.2 tpt -64.14 -43.0 96.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.986 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.28 -38.36 83.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 0.0 110.103 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 32.7 mm-40 -68.15 -29.92 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.79 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.636 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.7 m -75.27 -29.81 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 110.266 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 24.1 t80 -66.79 -33.71 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.691 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.563 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 76.3 t -47.61 -54.37 23.33 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.636 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.5 Cg_exo -55.77 -30.25 75.37 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.128 1.886 . . . . 0.0 113.078 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -74.64 -33.16 62.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.313 0.578 . . . . 0.0 109.634 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.58 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.4 mtm180 -59.76 -39.38 84.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.518 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 24.8 m -53.73 -38.48 64.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.392 0.433 . . . . 0.0 111.457 176.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.12 78.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.433 0.635 . . . . 0.0 109.989 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.626 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 92.5 t -62.1 -39.24 83.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.788 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 5.8 mm-40 -58.12 -40.72 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 109.827 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 45' ' ' THR . 86.2 mt -65.0 -45.99 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.059 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 19.9 p -77.7 -24.78 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.221 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.93 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 110.773 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -79.74 -15.58 57.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.023 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.71 -44.74 96.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.488 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -109.38 -13.47 14.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.198 0.523 . . . . 0.0 110.434 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.33 -20.11 11.73 Favored Glycine 0 CA--C 1.516 0.155 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.22 161.27 12.78 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.103 -0.549 . . . . 0.0 111.747 160.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -73.44 -3.79 29.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.509 0.324 . . . . 0.0 111.867 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 24.1 t70 -50.05 -36.17 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.7 p -88.49 15.22 8.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 32.4 t -116.07 74.61 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.306 0.574 . . . . 0.0 111.386 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.433 ' HB2' ' OG ' ' A' ' 64' ' ' SER . 13.7 m-20 -121.42 137.32 54.76 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.86 109.19 2.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.16 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.65 3.02 28.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.882 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 61' ' ' ASP . 88.7 p -127.35 158.71 36.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 53.84 30.08 10.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.76 9.61 70.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.851 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 76.9 mt -77.29 131.03 73.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.18 169.95 2.56 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.899 2.399 . . . . 0.0 112.616 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -91.72 138.66 24.94 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.45 123.76 14.41 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.413 2.075 . . . . 0.0 111.558 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 t -112.59 170.22 8.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.588 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 67.2 p -131.88 125.51 31.92 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.699 0.285 . . . . 0.0 110.251 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 p -78.96 178.08 8.28 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -53.42 -44.09 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.3 -5.42 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.521 HG23 ' SD ' ' A' ' 36' ' ' MET . 58.5 t -95.13 119.73 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 m -78.56 -47.76 16.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.697 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.88 152.71 6.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.522 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 ptm -172.47 141.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.667 0.605 . . . . 0.0 110.433 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 m -131.14 138.68 49.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.103 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.19 114.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.704 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.446 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -131.47 110.21 10.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.087 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.483 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 73.6 mmtt 49.85 46.75 23.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.167 -175.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.25 -24.91 1.65 Allowed Glycine 0 N--CA 1.465 0.59 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.064 -178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.446 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 54.3 t -66.44 141.03 18.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 80' ' ' SER . 30.3 m -129.88 118.94 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.496 0.665 . . . . 0.0 109.609 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.4 m -101.37 123.77 45.98 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.82 148.79 35.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.302 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.2 m -131.61 128.19 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.42 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 55.48 46.65 80.21 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.052 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.456 HE22 HG11 ' A' ' 76' ' ' VAL . 6.3 tp-100 -70.27 125.81 27.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.4 0.143 . . . . 0.0 110.627 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 50.07 -122.42 1.83 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.414 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.408 ' HB2' ' HD3' ' A' ' 29' ' ' ARG . 6.9 m -74.76 -12.79 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.735 0.414 . . . . 0.0 111.689 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.458 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 75.8 mt -83.05 39.87 0.67 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.038 -171.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -56.02 136.26 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.3 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.16 -12.91 52.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.551 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 8.4 tt -99.6 131.09 45.83 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -110.95 128.4 55.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.963 0.411 . . . . 0.0 109.962 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.38 128.81 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.574 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.34 102.93 14.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.573 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 43.6 tpp -93.94 111.89 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.198 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.426 HG22 HG21 ' A' ' 85' ' ' VAL . 87.3 m -112.96 99.23 47.97 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.05 134.48 62.43 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.46 2.106 . . . . 0.0 111.298 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.943 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 -176.309 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 112.2 -0.36 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.473 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 26.8 m-90 -126.19 123.89 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.261 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.65 121.83 32.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.825 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.573 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 1.2 mpt_? -109.13 150.29 28.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.04 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -145.43 118.32 8.75 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 79.1 m -102.65 116.37 32.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 32.6 m-80 -110.59 103.16 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.028 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 120' ' ' ILE . 6.0 tp -137.0 96.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.381 0.61 . . . . 0.0 109.747 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -73.17 -36.37 66.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.2 m -99.44 15.48 26.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.519 ' OD2' ' HG ' ' A' ' 126' ' ' LEU . 18.0 t70 -161.8 99.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.366 -0.533 . . . . 0.0 111.669 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 15.6 m -61.79 -26.96 68.42 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.056 178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.77 80.85 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.519 ' HG ' ' OD2' ' A' ' 123' ' ' ASP . 85.0 mt -60.17 -36.48 77.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.273 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -67.59 -41.35 84.23 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 124' ' ' SER . 17.4 mm100 -53.91 -43.41 69.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.672 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -47.57 34.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.258 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.91 -50.19 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.55 -26.25 68.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.462 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.0 -50.85 37.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.589 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.01 -43.05 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.598 0.713 . . . . 0.0 110.829 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 96.7 m-85 -86.63 25.05 1.31 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.398 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.428 -173.57 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.002 0.429 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -61.2 -34.65 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.687 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.01 -44.97 78.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.335 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.5 ttp180 -65.04 -36.44 84.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.268 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.14 -50.45 73.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.63 78.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.0 90.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.301 0.572 . . . . 0.0 110.128 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 64.1 mt -66.68 -34.17 77.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.851 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 82.5 m -61.94 -45.03 95.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.456 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -40.52 97.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.4 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 75' ' ' TYR . 31.5 mmt -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.12 -43.3 98.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.24 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.3 mm-40 -65.87 -31.83 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.615 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 32.2 m -75.61 -27.83 58.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.045 0.45 . . . . 0.0 110.607 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.514 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 27.7 t80 -70.48 -34.02 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 176.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.9 t -47.32 -51.72 40.77 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.7 Cg_exo -56.55 -31.33 86.16 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.076 1.851 . . . . 0.0 112.744 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -74.27 -31.6 62.6 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.333 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 44.3 mtm180 -60.88 -35.68 77.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.253 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.48 ' O ' HD22 ' A' ' 49' ' ' LEU . 6.0 m -51.54 -46.1 63.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.16 171.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.19 75.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.582 0.706 . . . . 0.0 110.132 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.62 -46.77 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.074 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.74 -37.32 86.07 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.49 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -58.04 -43.46 86.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 109.773 176.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.6 -59.83 3.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.809 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.65 -37.18 67.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.82 -49.64 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.93 -40.59 60.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 111.006 -175.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -89.25 -6.67 56.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.63 27.33 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.473 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.32 140.74 10.83 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 119.666 -1.254 . . . . 0.0 111.549 -173.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.18 -32.68 50.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 117.808 0.804 . . . . 0.0 108.837 163.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.442 ' HA ' ' CD ' ' A' ' 83' ' ' LYS . 4.9 m-20 -59.47 -29.26 67.69 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.647 -1.161 . . . . 0.0 112.017 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.0 p -81.75 -11.12 59.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.107 0.479 . . . . 0.0 111.324 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.75 62.71 5.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.325 0.584 . . . . 0.0 110.908 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -99.02 139.75 34.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.34 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.09 94.43 0.9 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.637 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.99 -0.1 7.7 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.239 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 m -136.04 168.56 19.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 55.05 34.4 22.42 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.25 52.98 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.929 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 57.6 mt -78.42 122.25 84.8 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.7 Cg_exo -68.93 143.56 55.35 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.031 1.821 . . . . 0.0 112.04 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -46.12 128.41 7.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.819 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.97 125.82 20.22 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.231 2.621 . . . . 0.0 112.553 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -95.97 168.18 10.79 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.787 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 29.8 p -126.6 126.29 43.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.023 0.44 . . . . 0.0 110.602 -178.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.3 p -73.42 177.85 4.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.268 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -55.48 -37.18 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.49 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 23.9 m-85 -92.05 -25.59 18.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.599 ' O ' ' HB ' ' A' ' 72' ' ' THR . 91.7 t -83.26 118.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.066 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.3 m -82.61 -37.68 24.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.53 147.82 14.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.835 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.7 ptp -160.61 140.15 10.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.735 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.4 t -136.39 143.88 44.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.017 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.424 HG22 HG11 ' A' ' 86' ' ' VAL . 21.7 t -110.61 120.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.858 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.24 111.68 9.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.073 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 58' ' ' ASP . 70.9 mmtt 56.59 39.93 29.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.63 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.18 -23.69 3.18 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.308 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.12 136.75 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.424 HG11 HG22 ' A' ' 81' ' ' VAL . 29.1 m -126.62 119.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 O-C-N 121.622 -0.674 . . . . 0.0 110.507 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.8 p -104.5 123.09 46.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.991 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.59 136.22 51.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -116.84 134.05 55.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.283 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.36 47.35 43.61 Favored Glycine 0 C--N 1.333 0.414 0 O-C-N 124.148 0.905 . . . . 0.0 113.756 176.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.6 124.95 26.92 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.76 -140.99 0.86 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.502 0.321 . . . . 0.0 110.245 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.8 m -63.88 -11.87 31.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 126' ' ' LEU . 50.8 mt -78.07 39.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.955 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.47 133.13 40.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.851 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.83 -21.9 20.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.683 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.9 tt -82.03 136.35 35.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.0 m -112.51 125.23 54.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.206 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.0 t -101.37 127.58 54.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -124.0 105.7 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.025 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.514 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 48.5 ttm -100.66 118.27 36.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.76 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -111.84 103.5 55.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.906 -174.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 59.5 Cg_endo -72.94 131.19 16.56 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.424 2.082 . . . . 0.0 111.323 171.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.909 179.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.421 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 26.5 m-90 -100.02 128.3 46.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.698 0.285 . . . . 0.0 111.219 -177.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -97.16 147.61 23.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -122.05 136.19 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.932 0.396 . . . . 0.0 112.03 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -145.24 132.87 20.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.97 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 71.0 m -116.8 118.0 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.137 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -112.28 105.57 13.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.366 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.472 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 7.1 tp -136.91 104.71 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.576 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -75.76 -39.69 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -170.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.3 m -105.72 10.11 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 10.6 m-20 -143.28 87.84 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.176 -0.327 . . . . 0.0 111.114 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.9 p -61.17 -35.55 77.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.52 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.926 0.394 . . . . 0.0 111.339 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.412 HD21 HD23 ' A' ' 94' ' ' LEU . 79.6 mt -68.91 -34.06 74.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.953 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.519 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 53.2 tt0 -62.43 -46.28 89.25 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -52.64 -42.75 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.684 0.615 . . . . 0.0 111.127 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.33 -45.15 61.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.167 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 29.2 t -68.43 -48.47 64.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.798 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 5.4 pt-20 -61.97 -22.19 65.44 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.273 -177.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.48 -53.03 32.25 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.964 -0.46 . . . . 0.0 110.333 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.2 t -84.44 -44.61 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.462 0.649 . . . . 0.0 111.743 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.477 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.4 m-85 -95.77 26.5 4.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.859 -175.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 . . . . . 0 N--CA 1.464 0.273 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.86 -169.172 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 86.5 m-20 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.0 0.429 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.12 -33.43 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.037 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.67 -33.03 64.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.8 ttm180 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.716 171.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 43.0 mmtm -60.72 -50.4 73.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.0 80.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.103 0.478 . . . . 0.0 110.109 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.7 mt -62.94 -38.55 91.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.044 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 m -64.79 -37.93 89.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.197 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.37 -38.93 91.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.239 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.68 -41.02 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.001 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.5 tp -62.24 -40.59 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.294 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 34' ' ' THR . 85.5 mm-40 -63.67 -24.68 67.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.006 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.568 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 20.8 m -75.32 -35.41 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.277 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -70.71 -34.18 71.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.78 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.5 t -47.16 -52.94 31.31 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 39' ' ' THR . 36.4 Cg_exo -61.88 -31.13 84.79 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.748 1.632 . . . . 0.0 112.519 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.426 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 m-85 -71.37 -25.78 62.52 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.194 -0.202 . . . . 0.0 111.22 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 49.0 mtm180 -55.69 -47.19 77.21 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.485 ' O ' HD22 ' A' ' 49' ' ' LEU . 45.5 m -52.64 -47.39 67.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.406 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.99 88.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 110.051 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 43' ' ' TYR . 71.5 t -63.65 -45.6 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.838 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 41.6 mt-10 -64.99 -43.29 93.06 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.788 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 45' ' ' THR . 4.5 mm? -66.67 -41.66 87.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.78 -31.87 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.986 0.422 . . . . 0.0 110.196 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.53 68.22 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.464 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.2 tp -81.32 -19.49 42.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.05 -45.76 66.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -175.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -107.96 -11.94 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.37 -20.28 7.41 Favored Glycine 0 N--CA 1.458 0.126 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.382 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.41 149.26 18.38 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 163.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 mt -72.99 -2.4 20.91 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.921 0.489 . . . . 0.0 111.662 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -48.88 -32.06 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 p -92.62 0.1 57.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.086 0.469 . . . . 0.0 111.906 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.39 73.29 2.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.304 0.573 . . . . 0.0 110.662 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.86 156.86 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.19 106.89 1.86 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.685 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.14 8.88 19.22 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.188 -0.53 . . . . 0.0 111.896 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -140.16 154.81 47.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.57 34.81 20.19 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.142 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.63 2.07 84.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.345 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.4 mt -90.47 125.49 59.55 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -57.85 159.17 18.39 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.79 2.327 . . . . 0.0 112.742 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 p -79.06 141.7 58.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.13 123.18 13.21 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.324 2.016 . . . . 0.0 112.017 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -138.14 172.25 13.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.663 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -124.65 126.14 45.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.97 0.414 . . . . 0.0 110.823 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 p -79.41 176.5 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -54.91 -38.77 68.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.5 ' HB3' ' HG2' ' A' ' 92' ' ' GLU . 20.0 m-85 -91.78 -7.45 49.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.0 t -94.31 128.12 45.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 O-C-N 121.974 -0.454 . . . . 0.0 110.443 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -87.78 -39.7 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.078 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.1 146.02 15.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.591 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.7 ptm -168.07 139.97 2.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.568 0.543 . . . . 0.0 110.0 175.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 35.5 p -136.29 150.19 48.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.705 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.49 116.22 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.24 111.23 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt 54.38 42.84 31.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.945 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.46 -24.28 3.16 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 113.349 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.8 t -71.44 142.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 26.8 m -132.62 117.64 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 0.0 110.518 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 79' ' ' MET . 49.6 m -104.47 125.4 50.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.899 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.79 144.88 42.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.473 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.8 m -132.42 143.27 49.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.494 0.188 . . . . 0.0 110.592 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.73 46.36 47.87 Favored Glycine 0 C--N 1.332 0.349 0 O-C-N 123.945 0.778 . . . . 0.0 113.155 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 125.07 35.01 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.5 ' HG2' ' HB3' ' A' ' 75' ' ' TYR . 17.0 mt-10 51.92 -128.98 2.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.238 0.542 . . . . 0.0 112.02 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 95' ' ' ASN . 10.9 t -71.96 -14.0 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.581 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.3 mt -81.68 39.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.488 0.661 . . . . 0.0 110.098 -175.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 93' ' ' SER . 25.4 t-20 -55.21 129.71 39.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.326 177.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.56 -17.0 46.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.929 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.0 tt -89.91 139.03 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.018 0.437 . . . . 0.0 110.792 -175.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 t -113.83 119.69 38.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.78 128.63 68.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.976 0.417 . . . . 0.0 109.897 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.84 113.44 43.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 49.0 tpp -94.65 110.65 22.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.423 ' HB ' ' HB1' ' A' ' 115' ' ' ALA . 6.2 m -113.5 93.44 27.4 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.986 -176.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.4 131.35 31.59 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.532 2.155 . . . . 0.0 111.714 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.681 178.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.7 m-90 -127.85 123.16 34.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 102' ' ' THR . . . -92.91 113.72 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.512 . . . . 0.0 109.67 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -109.5 135.04 51.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.816 -174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.23 133.29 42.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.4 m -112.3 116.93 31.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -114.35 102.77 10.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.173 0.511 . . . . 0.0 110.454 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.2 tp -137.53 102.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.491 175.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -169.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.4 p -93.39 -15.43 25.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.07 81.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -169.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.4 m -60.7 -22.99 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.77 -35.63 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 111.101 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.965 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.628 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 33.9 tt0 -66.93 -41.25 87.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 175.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -57.6 -36.44 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.513 174.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.3 28.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.387 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 31.5 p -69.11 -44.46 72.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.916 -175.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.46 -22.9 66.58 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.96 -51.04 69.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.918 0.39 . . . . 0.0 110.141 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.71 -47.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.58 0.705 . . . . 0.0 111.266 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -84.79 25.48 0.92 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.991 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.821 -174.367 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -62.52 -31.56 72.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 110.682 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -79.56 -39.29 32.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 30.0 ttm180 -59.31 -43.58 92.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.74 172.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -62.11 -47.01 86.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.154 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.11 -38.22 79.04 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.912 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.57 98.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.295 0.569 . . . . 0.0 110.096 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.7 mt -68.67 -38.33 80.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.292 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -66.21 -38.92 89.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.68 -39.08 84.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.691 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 tpt -63.69 -42.04 98.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.073 175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.525 ' O ' HG21 ' A' ' 41' ' ' VAL . 19.9 tp -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.269 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.35 -23.73 65.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.419 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 28.1 m -76.46 -35.31 58.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.375 0.607 . . . . 0.0 110.244 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -70.69 -35.84 72.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 37' ' ' LEU . 70.7 t -51.82 -50.47 77.68 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.51 ' HD2' ' O ' ' A' ' 39' ' ' THR . 53.1 Cg_exo -52.3 -42.28 61.29 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.896 1.73 . . . . 0.0 112.615 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.502 ' O ' HG22 ' A' ' 47' ' ' VAL . 86.2 m-85 -68.83 -33.34 73.67 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.757 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.664 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 2.8 mmp_? -54.77 -53.64 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.276 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.461 ' O ' HD21 ' A' ' 49' ' ' LEU . 21.2 m -52.13 -42.92 63.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.925 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.451 0.643 . . . . 0.0 110.693 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 43' ' ' TYR . 98.0 t -69.9 -40.57 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.317 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 4.0 mm-40 -68.34 -39.84 81.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.059 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -61.84 -38.7 89.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.237 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.558 ' SG ' HG22 ' A' ' 59' ' ' THR . 2.7 t -62.36 -52.19 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.198 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.231 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 83.2 mt -73.34 -21.99 60.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.26 -36.53 66.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 111.042 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -108.96 -12.63 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 110.479 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.53 -20.06 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.066 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.02 154.43 16.61 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.581 162.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.25 -2.64 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 123.245 0.618 . . . . 0.0 111.848 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.95 -39.64 27.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.771 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' SG ' ' A' ' 50' ' ' CYS . 14.9 t -76.79 -5.43 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 111.526 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -97.51 60.16 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.0 110.519 -176.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 9.8 t70 -109.57 133.97 52.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.282 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.33 108.37 2.46 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.951 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.64 2.64 24.1 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.314 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.0 m -143.44 162.77 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.7 0.25 . . . . 0.0 110.921 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 62.45 34.2 15.61 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.02 -3.43 84.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.638 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 55.5 mt -92.44 123.51 61.96 Favored Pre-proline 0 N--CA 1.447 -0.617 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 19.9 Cg_exo -65.29 146.99 87.35 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.725 2.284 . . . . 0.0 112.301 -177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -48.67 136.54 13.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.315 172.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.33 125.47 15.26 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.533 2.822 . . . . 0.0 112.993 -172.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -118.33 -177.67 3.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.676 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -135.97 143.27 44.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.855 0.36 . . . . 0.0 110.551 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.468 ' OG1' HG21 ' A' ' 76' ' ' VAL . 30.3 p -85.2 176.95 8.05 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -55.03 -40.27 70.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -92.3 -12.97 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.468 HG21 ' OG1' ' A' ' 73' ' ' THR . 79.0 t -82.48 127.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.378 0.609 . . . . 0.0 110.636 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -81.34 -46.57 14.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.755 -175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' HB2' ' HB ' ' A' ' 89' ' ' THR . . . -171.88 142.63 1.52 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.385 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.486 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.9 ptm -160.92 140.37 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.148 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.5 m -124.59 151.31 44.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 t -125.89 119.31 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -139.08 109.58 6.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.177 0.513 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 52.05 43.8 30.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.368 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.37 -24.05 6.71 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.54 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 38.2 t -73.18 134.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 80' ' ' SER . 27.7 m -132.83 121.02 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.516 0.674 . . . . 0.0 111.177 -174.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 79' ' ' MET . 24.9 m -104.17 125.37 50.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.786 176.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.04 137.95 50.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 11.4 m -119.81 132.49 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.27 46.25 28.06 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 114.952 -1.022 . . . . 0.0 114.052 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.481 HE21 ' HG2' ' A' ' 92' ' ' GLU . 28.8 tp60 -82.95 124.69 30.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.001 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.481 ' HG2' HE21 ' A' ' 91' ' ' GLN . 5.8 mm-40 55.04 -123.31 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.883 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -72.42 -14.51 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.84 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 54.4 mt -87.2 37.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.342 0.591 . . . . 0.0 110.122 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.55 134.23 56.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.995 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.6 -17.85 32.83 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.467 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 8.9 tt -94.27 136.62 34.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.793 0.33 . . . . 0.0 110.215 -176.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -113.02 124.3 52.29 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -100.98 127.43 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.8 t -118.43 102.89 13.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.406 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.6 tpp -92.34 112.45 24.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.628 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.463 ' HB ' ' HB2' ' A' ' 115' ' ' ALA . 5.4 m -111.23 90.9 12.43 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.538 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 62.1 Cg_endo -77.56 132.96 12.56 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.462 2.108 . . . . 0.0 112.219 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.805 0 CA-C-N 115.633 -0.712 . . . . 0.0 113.148 175.287 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.402 ' CD1' ' HB3' ' A' ' 103' ' ' PRO . 28.9 m-90 -134.72 128.92 33.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.463 ' HB2' ' HB ' ' A' ' 102' ' ' THR . . . -97.32 121.36 39.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.3 mpt_? -108.76 131.42 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.83 0.348 . . . . 0.0 110.756 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -136.1 127.98 29.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.5 m -111.91 116.26 30.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.839 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -108.67 102.89 11.91 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.34 176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 120' ' ' ILE . 5.7 tp -136.15 100.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.278 173.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.88 -38.62 64.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.11 -169.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 m -90.76 -12.92 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.1 86.81 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.5 t -60.83 -22.08 63.84 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.198 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.55 83.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.349 . . . . 0.0 111.446 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.51 -31.0 67.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.064 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 49.5 tt0 -61.83 -45.13 95.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.953 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.74 -31.52 72.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.41 -48.59 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.394 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 26.2 p -69.05 -44.3 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.975 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 8.7 pt-20 -62.51 -23.65 67.07 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.483 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -70.66 -47.86 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.222 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 135' ' ' ARG . 93.1 t -82.89 -48.54 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.27 0.557 . . . . 0.0 111.193 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.428 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 94.9 m-85 -80.29 23.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.118 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 28.8 ptt180 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.634 -166.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.507 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 40.5 m-80 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 111.305 0.113 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -64.35 -38.98 92.96 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.18 -32.85 63.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 35.1 ttm180 -64.62 -41.3 96.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.177 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 7.7 mtmp? -65.88 -40.79 91.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 177.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.93 76.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.738 0.304 . . . . 0.0 111.299 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.49 86.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.378 0.609 . . . . 0.0 109.571 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 88.1 mt -66.28 -33.91 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.324 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 70.1 m -64.65 -41.74 95.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.282 176.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -69.01 -39.12 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.771 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.0 tpt -61.0 -43.73 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.187 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 tm? -61.89 -48.76 79.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.78 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.2 mm100 -66.03 -29.98 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.514 -177.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.578 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 59.1 m -75.93 -32.29 59.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.248 0.547 . . . . 0.0 110.682 175.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 9.5 t80 -70.54 -33.87 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.183 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.54 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.9 t -52.31 -50.92 76.84 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.7 Cg_exo -55.42 -26.22 52.39 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.253 1.969 . . . . 0.0 112.941 174.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 27.9 m-85 -74.84 -42.06 58.69 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.65 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 12.7 mmm180 -61.47 -37.94 85.44 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.448 ' O ' HD22 ' A' ' 49' ' ' LEU . 17.5 m -52.27 -44.03 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.678 0.275 . . . . 0.0 111.178 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.94 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 110.151 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.97 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.08 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.65 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 58.0 mm-40 -68.97 -39.98 79.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.181 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -64.84 -43.25 93.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.84 -38.04 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.594 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.474 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . . . -69.83 -45.81 67.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.359 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.07 -17.35 64.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.1 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.47 -40.76 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -108.82 -12.65 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.312 0.577 . . . . 0.0 109.995 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.08 -19.41 30.72 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.07 152.31 17.33 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.862 164.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 ' HG ' ' CB ' ' A' ' 51' ' ' ALA . 3.2 mp -73.11 -1.92 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.765 0.426 . . . . 0.0 111.98 -177.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 18.6 t70 -48.98 -32.94 10.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.647 0.379 . . . . 0.0 112.02 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -83.19 -0.43 49.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.191 0.519 . . . . 0.0 111.011 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.8 m -107.54 63.28 0.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.501 0.667 . . . . 0.0 109.779 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.607 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 27.9 t70 -118.94 135.2 54.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.41 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.35 95.2 0.43 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.83 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.12 1.17 6.32 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.764 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 61' ' ' ASP . 59.4 p -145.91 161.48 39.94 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.977 0.388 . . . . 0.0 111.342 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 56.0 44.96 24.66 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.237 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.34 -19.27 28.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.872 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.8 mt -87.32 127.7 57.94 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.05 164.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.201 1.934 . . . . 0.0 112.727 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.6 m -44.28 136.17 4.1 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.873 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -49.96 129.93 26.07 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.489 2.793 . . . . 0.0 112.956 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.4 p -113.54 176.15 5.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.589 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.8 p -131.74 129.96 41.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.103 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.7 p -73.97 177.16 5.82 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -53.82 -42.9 68.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -167.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -103.37 5.14 37.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.455 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 54.6 t -87.22 128.52 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.239 176.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 m -81.19 -42.36 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.633 -173.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.83 145.06 1.86 Allowed 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.4 ptm -169.32 146.87 3.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.86 0.362 . . . . 0.0 111.04 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -135.2 147.52 49.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.612 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.9 t -121.61 118.68 56.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.607 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -131.3 110.24 10.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.129 0.49 . . . . 0.0 110.778 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.2 mmtp 50.0 46.35 24.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.853 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.41 -24.7 5.43 Favored Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.212 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 61.6 t -64.46 138.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.6 t -134.62 112.72 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.078 0.466 . . . . 0.0 110.381 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 31.6 t -102.23 121.4 42.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.865 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.3 mm? -100.77 134.62 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.2 m -123.19 127.54 48.78 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.911 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 48.14 45.91 27.19 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.857 -1.065 . . . . 0.0 114.1 174.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 28.0 tp60 -72.97 122.7 22.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.211 0.506 . . . . 0.0 110.291 -177.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HG3' HE21 ' A' ' 91' ' ' GLN . 48.4 mt-10 46.86 -116.48 0.69 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.782 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 95' ' ' ASN . 13.8 m -74.35 -14.43 60.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.817 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 53.3 mt -81.93 38.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.558 -174.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 93' ' ' SER . 28.5 t-20 -56.5 132.47 51.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.917 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.25 -10.4 49.26 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.484 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD13 HD23 ' A' ' 94' ' ' LEU . 8.7 tt -93.21 133.63 36.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.061 0.458 . . . . 0.0 110.126 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -112.88 129.44 56.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.5 t -106.51 125.13 62.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.06 103.39 15.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 50.3 ttm -88.79 110.61 21.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.043 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.424 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 10.7 m -106.96 96.67 15.39 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.257 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 102' ' ' THR . 34.4 Cg_endo -66.23 139.59 55.73 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 112.543 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.964 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 176.849 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 112.365 -0.294 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -117.31 124.25 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.517 0.199 . . . . 0.0 110.606 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.78 113.57 25.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -108.46 120.35 42.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.727 -176.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 17.5 m120 -112.2 125.65 54.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.244 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.0 m -102.57 115.61 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -115.53 105.04 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.0 111.133 -177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.474 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.2 tp -135.77 103.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.452 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -74.78 -39.78 61.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -167.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -98.3 2.69 48.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.474 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 6.7 m-20 -142.5 83.81 1.83 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.843 0.354 . . . . 0.0 110.558 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 17.8 t -60.49 -30.98 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.368 -177.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.09 94.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.914 0.387 . . . . 0.0 111.354 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.12 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.102 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -68.06 -43.7 78.05 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.777 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 124' ' ' SER . 97.6 mt-30 -56.64 -40.34 75.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -45.27 49.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.362 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.19 -49.58 55.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.925 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.8 tt0 -63.0 -25.74 68.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.356 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.72 -51.14 69.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.544 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 63.8 t -84.14 -49.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.328 0.585 . . . . 0.0 111.678 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 87.0 m-85 -86.11 21.87 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.123 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 14.0 ptm180 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.386 0.613 . . . . 0.0 112.44 -173.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.0 m120 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -70.32 -37.75 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.218 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.37 -38.95 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.884 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 37.4 ttp180 -62.64 -40.9 98.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.099 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -59.78 -50.89 72.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.506 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.75 93.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.88 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 110.284 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 86.9 mt -68.48 -35.88 78.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.371 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 57.4 m -63.97 -38.55 91.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.953 176.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.2 -40.54 86.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.073 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.7 tpp -61.3 -43.32 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.881 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.55 -40.77 96.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.415 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 34' ' ' THR . 28.3 mm-40 -66.24 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.262 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.549 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.8 m -75.7 -29.41 58.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.377 0.608 . . . . 0.0 110.244 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.78 -34.62 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.388 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.507 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 78.8 t -50.75 -51.51 65.4 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.1 Cg_exo -55.29 -39.61 90.07 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.904 1.736 . . . . 0.0 112.558 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.487 ' O ' HG22 ' A' ' 47' ' ' VAL . 75.2 m-85 -72.26 -24.16 61.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.249 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.529 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 33.1 mtp-105 -55.35 -44.98 76.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.453 ' O ' HD22 ' A' ' 49' ' ' LEU . 34.1 m -52.68 -47.13 67.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.12 86.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.251 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 43' ' ' TYR . 78.7 t -62.03 -48.36 88.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.47 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.6 mt-10 -60.29 -44.84 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -60.99 -43.26 99.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.072 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.6 t -72.27 -32.36 66.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.041 0.448 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.91 74.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.695 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -76.8 -19.99 56.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.46 -46.75 68.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -109.29 -11.7 14.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 -19.63 9.46 Favored Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.945 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.88 145.77 18.75 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.015 -1.088 . . . . 0.0 113.116 164.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 mt -73.32 -2.04 20.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.059 0.544 . . . . 0.0 111.517 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 29.2 t70 -47.71 -33.88 7.54 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.3 p -90.66 -1.38 57.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.105 0.479 . . . . 0.0 111.983 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.8 m -93.04 72.32 4.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.406 -173.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.84 147.46 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.95 111.99 4.54 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.189 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.46 -4.1 19.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.549 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 p -129.8 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.717 0.258 . . . . 0.0 111.094 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 56.13 28.85 13.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.166 0.586 . . . . 0.0 112.454 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.64 -6.7 76.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.543 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.2 mt -76.4 130.15 77.98 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 46.1 Cg_exo -57.13 155.88 27.09 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.753 2.302 . . . . 0.0 112.854 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.4 t -88.18 138.69 30.54 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.72 124.88 14.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.197 2.598 . . . . 0.0 112.729 -173.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -144.65 179.76 7.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.12 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 54.4 p -130.71 126.67 37.06 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.968 0.413 . . . . 0.0 110.435 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.402 ' OG1' HG23 ' A' ' 76' ' ' VAL . 49.5 p -72.35 178.53 3.9 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -54.0 -42.73 69.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.343 -0.143 . . . . 0.0 111.098 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -89.98 -17.96 26.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.511 ' O ' ' HB ' ' A' ' 72' ' ' THR . 54.1 t -81.02 129.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.241 0.543 . . . . 0.0 110.531 -176.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -86.04 -42.71 13.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.544 -176.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.27 147.14 3.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.207 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.7 ptp -165.84 140.81 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.642 0.589 . . . . 0.0 110.222 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 23.7 m -129.15 145.4 51.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.595 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -118.44 112.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.13 110.97 11.55 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.05 0.453 . . . . 0.0 110.515 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 66.6 mttm 48.05 46.4 19.3 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.109 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.51 -24.89 5.36 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.854 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.3 t -68.04 142.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 80' ' ' SER . 23.2 m -137.2 113.6 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.632 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -104.65 129.0 52.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.462 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.7 141.94 50.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.867 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.1 m -132.33 150.93 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.941 0.4 . . . . 0.0 111.481 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.12 41.85 54.07 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.576 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 24.4 tp60 -83.13 125.71 31.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -174.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 57.31 -139.8 0.86 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.641 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -64.51 -13.31 51.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.893 0.378 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.2 mt -81.33 38.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.003 0.43 . . . . 0.0 111.041 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.415 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 28.6 t-20 -54.36 134.38 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.738 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.28 -23.46 15.09 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.844 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.422 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -85.64 138.13 32.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.741 0.305 . . . . 0.0 110.286 -176.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -118.75 135.6 54.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.051 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.24 128.26 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.79 108.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.925 0.393 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 55.0 tpp -97.59 110.58 23.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.75 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.462 ' HB ' ' HB2' ' A' ' 115' ' ' ALA . 4.4 m -111.04 90.45 11.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.971 0.415 . . . . 0.0 110.338 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.24 133.33 19.23 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.631 2.221 . . . . 0.0 113.075 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.902 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 172.607 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 121.005 0.225 . . . . 0.0 113.036 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -119.96 132.09 55.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.462 ' HB2' ' HB ' ' A' ' 102' ' ' THR . . . -92.95 113.03 25.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -108.91 133.69 52.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.804 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -140.26 118.74 12.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.783 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.4 m -104.34 115.08 29.75 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -114.89 104.92 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -175.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 120' ' ' ILE . 5.5 tp -136.84 103.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.965 172.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -74.07 -38.88 63.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -169.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.9 p -88.63 -19.57 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -171.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -134.8 82.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.553 -169.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -60.17 -22.96 63.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.108 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.49 95.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.872 0.368 . . . . 0.0 111.014 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.26 -34.12 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 9.6 tt0 -62.93 -40.8 98.74 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.945 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -53.53 -37.85 63.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.596 0.56 . . . . 0.0 111.589 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.12 -45.64 47.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.7 t -69.22 -49.3 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 11.4 pt-20 -62.23 -25.1 67.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.32 -51.91 21.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.496 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.2 t -82.88 -49.02 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.287 0.565 . . . . 0.0 111.387 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -84.74 24.49 1.03 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 6.9 ptm180 . . . . . 0 CA--C 1.518 -0.283 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.647 -170.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.55 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 87.3 m-20 . . . . . 0 C--O 1.224 -0.251 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.19 -44.96 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.194 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.12 -32.46 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.909 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HD2' ' HB3' ' A' ' 92' ' ' GLU . 25.2 tpp180 -66.19 -35.78 81.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.835 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 32.6 mmtp -65.45 -45.75 82.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.313 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.16 65.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.32 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HB2' HG21 ' A' ' 133' ' ' VAL . 96.2 mt -66.08 -38.73 89.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 m -63.68 -40.73 97.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.211 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.13 -39.45 92.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.417 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 tpt -61.85 -46.43 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.255 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 tp -59.44 -44.13 92.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.198 0.523 . . . . 0.0 110.53 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.415 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 77.0 mm-40 -67.67 -24.2 65.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.471 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.578 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 48.1 m -76.42 -27.33 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 110.574 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -65.91 -34.99 79.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.615 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 62.4 t -57.16 -50.73 86.5 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.8 Cg_exo -61.63 -28.77 83.06 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.762 1.642 . . . . 0.0 112.635 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -72.05 -24.96 61.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.033 0.444 . . . . 0.0 110.007 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 23.3 mmm180 -55.49 -42.89 75.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.567 175.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.498 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.1 m -51.11 -47.14 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.282 0.364 . . . . 0.0 111.527 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.79 97.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.37 0.605 . . . . 0.0 110.512 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.25 -44.89 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.475 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 39.3 mt-10 -70.0 -34.49 73.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -64.03 -43.51 95.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.281 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 p -74.53 -37.27 63.11 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.266 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.31 -37.15 64.48 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.528 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.3 mt -78.21 -23.24 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.922 0.391 . . . . 0.0 111.145 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.2 -41.23 70.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.89 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -107.42 -12.44 15.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.147 0.499 . . . . 0.0 110.664 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.75 -20.54 6.27 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.665 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.67 164.97 13.41 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.945 163.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.49 -1.37 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.332 0.653 . . . . 0.0 111.891 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 1.9 m-20 -48.08 -38.79 18.37 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.5 0.72 . . . . 0.0 112.261 -174.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -87.46 -6.45 58.4 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -89.99 69.45 7.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.126 0.489 . . . . 0.0 111.905 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -104.9 154.24 20.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.378 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.56 98.41 0.75 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.044 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.18 4.6 5.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.137 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -148.54 162.22 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.582 -0.363 . . . . 0.0 110.963 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 57.94 47.0 15.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.75 -9.08 46.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.901 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.3 mt -93.85 120.38 65.98 Favored Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.51 150.77 52.19 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.348 2.032 . . . . 0.0 111.881 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.8 m -48.92 134.77 14.41 Favored Pre-proline 0 C--O 1.237 0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.182 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -46.18 123.63 6.68 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.131 2.554 . . . . 0.0 112.103 -171.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -113.02 130.18 56.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.275 -169.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -103.02 125.32 49.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.373 0.606 . . . . 0.0 110.516 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.449 ' H ' ' HB ' ' A' ' 76' ' ' VAL . 43.3 p -80.25 179.11 7.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.567 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -53.97 -36.73 63.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.665 0.269 . . . . 0.0 110.896 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -94.63 -25.02 16.94 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.591 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 73.9 t -80.45 124.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.551 0.691 . . . . 0.0 110.487 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -82.77 -46.01 13.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.826 -173.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.96 147.38 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptp -156.34 147.84 22.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 t -140.5 134.67 31.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.65 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.1 t -114.1 121.42 66.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.16 110.6 7.47 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.163 0.506 . . . . 0.0 110.118 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 69.2 mmtt 53.35 46.88 25.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.384 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.96 -23.4 5.94 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.009 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 46.9 t -71.65 139.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.45 117.46 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.714 0.769 . . . . 0.0 110.262 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 14.4 m -103.56 128.74 50.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.242 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -109.09 144.19 37.45 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.8 m -136.52 137.85 40.72 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.334 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.3 46.39 35.36 Favored Glycine 0 C--N 1.335 0.495 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.424 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.591 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 28.8 tp60 -93.3 125.43 37.9 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 122.771 -0.252 . . . . 0.0 110.48 -175.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 29' ' ' ARG . 26.8 mm-40 55.76 -133.49 1.54 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.327 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.4 t -67.54 -14.23 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.865 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 35.4 mt -83.18 39.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.373 0.606 . . . . 0.0 110.304 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -61.72 127.1 29.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.377 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.66 -13.85 59.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.345 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 7.4 tt -90.84 130.29 36.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.926 0.393 . . . . 0.0 109.983 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.6 m -108.56 122.65 47.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.335 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.6 t -100.58 127.28 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.8 t -113.26 102.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 54.0 tpp -90.06 110.27 21.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.458 ' HB ' ' HB1' ' A' ' 115' ' ' ALA . 37.2 m -111.33 95.17 24.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 36.3 Cg_endo -68.13 142.29 55.42 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.115 1.877 . . . . 0.0 110.885 173.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.898 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.641 -177.221 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.644 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 29.1 m-90 -135.19 123.55 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.542 0.211 . . . . 0.0 110.478 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.458 ' HB1' ' HB ' ' A' ' 102' ' ' THR . . . -89.78 130.98 35.96 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.4 mpt_? -108.38 133.16 52.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -144.26 128.64 17.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.957 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.97 124.93 43.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.272 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 40.1 m-80 -111.71 102.01 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.442 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.447 ' O ' HG21 ' A' ' 120' ' ' ILE . 6.1 tp -138.14 95.15 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.184 172.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -73.44 -15.54 61.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -167.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.5 p -102.23 -23.47 14.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.55 94.99 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 111.764 -168.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.3 m -60.84 -25.09 66.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.313 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.08 -31.72 71.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.689 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.07 -37.0 86.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.004 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -67.34 -35.22 78.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.37 70.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.524 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 31.7 p -68.62 -39.26 80.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.43 -26.55 68.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.018 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -68.97 -45.24 71.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.943 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 33' ' ' LEU . 98.9 t -83.16 -46.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 0.0 111.146 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.495 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 97.9 m-85 -84.05 20.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.49 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' A' ' 133' ' ' VAL . 12.5 ptp180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.441 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 . . . . . 0 CA--C 1.516 -0.331 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -69.13 -41.48 77.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.648 -171.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.44 -44.79 70.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 110.279 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.563 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 15.0 ttp180 -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.291 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.03 -42.83 89.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.09 73.0 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 122.216 -0.302 . . . . 0.0 111.093 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.52 98.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 109.664 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.5 mt -63.6 -33.35 75.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 66.8 m -68.23 -38.72 82.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.47 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.65 -40.72 80.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 109.864 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.8 tpp -61.13 -41.4 96.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.538 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 tp -59.83 -41.03 90.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.713 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.4 mm-40 -64.66 -34.49 78.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.972 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.555 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 45.5 m -75.27 -30.65 60.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 110.395 175.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -71.29 -34.79 70.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.59 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 55.5 t -48.65 -51.55 52.05 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.0 Cg_exo -54.63 -24.78 38.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.302 2.002 . . . . 0.0 113.305 176.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -75.51 -37.06 60.39 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.434 0.635 . . . . 0.0 109.316 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.6 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 97.1 mtt180 -56.9 -43.25 81.17 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.441 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.414 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.6 m -51.6 -38.33 54.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.583 0.552 . . . . 0.0 112.04 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.603 0.716 . . . . 0.0 110.22 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.92 -43.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.373 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 26.4 mm-40 -63.31 -41.32 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -62.46 -41.19 98.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.6 t -64.14 -45.28 89.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.048 0.451 . . . . 0.0 109.91 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.479 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -59.87 -26.2 65.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.845 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.3 mt -82.76 -31.81 28.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.795 0.331 . . . . 0.0 111.354 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -75.12 -44.2 48.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.537 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -108.12 -12.29 15.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.235 0.54 . . . . 0.0 111.077 -175.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 68.5 -20.2 0.36 Allowed Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.698 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.62 149.93 18.75 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.083 163.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.58 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 76.2 mt -74.18 -3.82 32.1 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.819 0.448 . . . . 0.0 112.165 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.68 -32.02 50.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 111.96 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.8 p -92.23 -3.7 55.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 58.2 m -89.22 70.19 8.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.125 0.488 . . . . 0.0 111.832 -170.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -109.51 145.68 35.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.22 114.49 6.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.556 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.31 3.23 25.99 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.298 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -148.49 167.66 24.76 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.816 -0.226 . . . . 0.0 110.736 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 52.45 43.6 30.8 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.34 0.656 . . . . 0.0 112.615 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.7 -10.02 57.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.748 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 44.2 mt -91.78 118.66 68.41 Favored Pre-proline 0 N--CA 1.447 -0.578 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.1 Cg_exo -68.34 145.67 66.41 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.459 2.106 . . . . 0.0 111.5 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 p -52.78 125.29 38.15 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.17 130.1 37.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.052 2.501 . . . . 0.0 112.37 -174.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.2 t -120.11 178.14 4.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.317 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -126.82 126.04 42.7 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.0 p -75.01 178.07 5.89 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -53.94 -43.67 70.03 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.202 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -93.17 -14.83 26.65 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -81.61 130.94 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.183 0.516 . . . . 0.0 110.158 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -86.66 -47.13 9.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.787 -172.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -173.07 148.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.211 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptp -162.98 140.29 7.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.861 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 m -136.82 140.54 42.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.04 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -105.49 115.57 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.691 ' O ' HG21 ' A' ' 85' ' ' VAL . . . -130.61 110.56 11.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.258 0.551 . . . . 0.0 110.497 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 47.13 45.48 16.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.513 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.4 -26.19 3.09 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.816 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.691 HG21 ' O ' ' A' ' 82' ' ' ALA . 1.4 m -75.46 141.19 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.28 122.93 60.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.36 0.6 . . . . 0.0 110.892 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -103.24 124.03 47.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.821 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.01 146.59 41.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.588 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.8 m -132.52 137.64 47.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.364 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.63 46.97 38.12 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.949 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.431 HE21 ' HG3' ' A' ' 92' ' ' GLU . 20.8 tp60 -76.22 123.41 25.84 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.431 ' HG3' HE21 ' A' ' 91' ' ' GLN . 33.1 mt-10 46.02 -121.33 1.04 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.988 0.515 . . . . 0.0 111.96 -176.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 95' ' ' ASN . 22.6 t -74.42 -13.24 60.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 62.8 mt -81.93 38.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.236 0.541 . . . . 0.0 110.301 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 93' ' ' SER . 23.7 t-20 -55.26 130.46 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.458 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.54 -15.08 58.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.332 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.1 tt -93.31 130.71 38.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.155 0.502 . . . . 0.0 110.198 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 t -112.23 128.21 56.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.623 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.81 129.18 53.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.18 105.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 52.6 ttp -100.02 113.53 26.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.545 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -107.01 100.96 35.2 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.185 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.05 158.48 57.73 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.834 2.356 . . . . 0.0 112.276 178.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -178.873 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.375 -0.125 . . . . 0.0 113.359 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.0 m-90 -126.61 128.91 47.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.096 0.448 . . . . 0.0 110.943 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.92 116.22 27.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 3.0 mpt_? -108.74 124.12 50.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -176.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -127.08 128.96 47.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.868 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.14 116.07 26.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.729 0.299 . . . . 0.0 110.305 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 20.1 m120 -110.26 106.62 16.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.3 -176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.403 ' HB ' ' CB ' ' A' ' 97' ' ' LEU . 3.4 tp -135.15 107.18 7.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.174 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.8 -39.43 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.3 m -86.82 -18.08 31.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -170.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -139.81 83.26 1.92 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.607 0.242 . . . . 0.0 111.01 -173.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.5 m -59.36 -28.0 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.758 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.16 -32.57 74.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 111.364 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 94' ' ' LEU . 78.0 mt -70.17 -30.59 67.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.0 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.594 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 94.3 mt-30 -57.38 -47.65 81.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.34 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.09 -46.56 67.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.156 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.12 -51.75 67.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 34.4 tt0 -66.07 -31.37 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 110.375 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.594 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 0.9 OUTLIER -69.93 -41.06 75.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.6 t -83.01 -48.22 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.041 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 44.2 m-85 -77.5 -20.67 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.233 -172.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 74.8 ttt180 . . . . . 0 N--CA 1.45 -0.456 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.198 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 121.092 0.472 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -70.1 -35.75 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.212 -173.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.22 -34.78 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.08 0.467 . . . . 0.0 110.052 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.54 -35.99 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.206 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.13 -46.63 85.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.234 175.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.01 98.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -31.98 71.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.911 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.6 m -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.793 175.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.62 -40.92 89.01 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.036 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.813 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 41' ' ' VAL . 33.5 tp -61.61 -42.44 98.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.1 mm-40 -66.48 -28.53 68.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.489 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.495 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 55.0 m -77.25 -33.36 55.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.195 0.522 . . . . 0.0 110.719 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE1' ' HE1' ' A' ' 101' ' ' MET . 30.2 t80 -70.13 -36.82 75.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.645 -175.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 99.0 t -57.0 -49.82 91.79 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 77.6 Cg_exo -51.64 -36.06 59.45 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.338 2.025 . . . . 0.0 113.059 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.514 ' O ' HG21 ' A' ' 47' ' ' VAL . 60.1 m-85 -72.01 -34.51 68.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.253 0.549 . . . . 0.0 109.76 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.537 ' NH2' HG23 ' A' ' 47' ' ' VAL . 5.2 mmp_? -60.59 -40.23 90.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.052 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 24.9 m -53.69 -41.42 66.91 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.049 173.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.24 74.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.771 0.796 . . . . 0.0 110.326 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' NH2' ' A' ' 44' ' ' ARG . 87.6 t -71.16 -39.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 45' ' ' THR . 11.9 pt-20 -67.05 -32.94 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.261 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.97 -44.37 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.59 -32.6 74.12 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.396 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -40.0 76.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.467 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.42 -25.01 45.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.003 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.5 -43.71 98.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -108.43 -13.05 14.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.134 0.493 . . . . 0.0 110.598 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -19.77 5.62 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.088 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.21 145.83 18.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.656 164.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.3 -3.06 21.55 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.771 0.428 . . . . 0.0 111.276 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.11 -31.23 18.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.075 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.7 p -94.87 5.47 51.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.923 0.392 . . . . 0.0 112.038 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 78.0 m -101.71 73.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.427 0.632 . . . . 0.0 110.922 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -109.34 159.1 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.899 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.07 108.34 2.41 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.768 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.08 6.49 12.31 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.857 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -148.63 160.66 42.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.275 0.538 . . . . 0.0 111.49 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 53.41 46.67 25.8 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.053 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 -13.25 60.35 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.03 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.75 122.14 59.52 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.45 150.86 70.62 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.439 2.093 . . . . 0.0 112.479 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.8 m -50.73 140.82 18.86 Favored Pre-proline 0 C--O 1.235 0.293 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.894 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.53 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 23.4 Cg_endo -61.2 124.59 15.12 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.533 2.155 . . . . 0.0 111.831 -175.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -136.4 167.62 21.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.783 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 18.4 p -117.06 126.39 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.606 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.2 p -80.76 177.1 9.25 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -53.49 -39.17 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -174.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -100.0 12.73 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.404 ' O ' ' HB ' ' A' ' 72' ' ' THR . 90.6 t -112.5 130.8 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.358 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 m -97.91 -39.34 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.723 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.444 ' HB2' ' HB ' ' A' ' 89' ' ' THR . . . -146.34 154.3 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -174.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.53 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -163.01 160.16 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.324 -177.044 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 49.3 m -155.2 135.85 13.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.342 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 40.9 t -128.79 121.5 54.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.19 110.69 5.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.035 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 48.81 48.11 20.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.504 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.99 -23.3 18.21 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.115 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 62.3 t -65.7 133.27 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' SER . 48.4 t -136.89 109.86 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.217 0.532 . . . . 0.0 110.246 -177.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 79' ' ' MET . 34.3 t -104.93 125.74 51.26 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.553 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -113.01 147.35 37.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 29.4 m -150.43 145.38 26.02 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 47.29 46.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.575 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -96.08 122.48 38.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.67 -119.84 0.64 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.042 0.537 . . . . 0.0 112.388 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 t -75.64 -14.36 60.36 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 111.597 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.62 40.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.706 -173.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -53.32 136.35 37.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.421 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.55 -22.21 4.85 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.89 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 89' ' ' THR . 9.4 tt -79.37 138.29 37.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.028 0.414 . . . . 0.0 110.566 -175.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -118.55 129.03 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.272 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 59.0 t -109.11 129.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.87 103.73 14.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.072 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.55 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 29.9 tpp -83.02 109.57 17.22 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.0 m -114.68 117.37 42.47 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.857 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 25.6 Cg_exo -64.07 127.94 20.57 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.124 1.883 . . . . 0.0 111.84 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 176.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -117.47 124.09 47.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.293 0.546 . . . . 0.0 111.101 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.86 141.26 29.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.73 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.55 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -108.62 140.93 41.3 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.125 -177.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.9 m120 -143.28 123.69 13.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.4 m -103.72 114.84 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -116.56 106.02 13.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.269 0.557 . . . . 0.0 111.256 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -134.37 108.68 11.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 172.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.84 -39.6 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -165.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 p -96.29 -18.46 19.98 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -133.21 89.7 2.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.874 -169.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 35.3 m -61.0 -25.83 67.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.793 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.19 70.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.014 0.435 . . . . 0.0 111.519 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.47 -37.27 60.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 31.7 tt0 -65.95 -43.89 86.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.601 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 124' ' ' SER . 98.9 mt-30 -52.71 -37.32 58.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.426 0.454 . . . . 0.0 111.36 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -47.1 29.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.163 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.69 -49.09 67.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 4.4 pt-20 -65.99 -23.82 66.65 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.65 -48.66 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.969 0.414 . . . . 0.0 110.296 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.65 -49.01 18.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.32 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.62 21.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.455 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 9.7 ptm180 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 122.163 0.983 . . . . 0.0 113.448 -168.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.408 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 54.6 m-80 . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.38 -41.87 72.5 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.998 -172.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.45 -42.45 98.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.271 0.558 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.593 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 19.4 ttp180 -67.95 -34.42 76.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.826 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 54.2 mttm -56.55 -51.46 68.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.188 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.96 76.4 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.26 88.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 109.971 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 70.4 mt -68.86 -36.48 78.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.574 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.9 m -67.33 -38.27 84.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.169 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.07 -39.72 82.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.235 0.541 . . . . 0.0 109.897 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.707 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 16.1 ttt -59.48 -47.52 85.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.8 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG21 ' A' ' 41' ' ' VAL . 36.8 tp -62.76 -41.36 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.406 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -64.26 -30.57 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.861 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.54 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 31.5 m -75.13 -31.77 61.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.381 0.61 . . . . 0.0 110.412 177.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -71.36 -35.08 71.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.22 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 71.0 t -47.37 -51.89 39.94 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.54 ' HD2' ' O ' ' A' ' 39' ' ' THR . 53.0 Cg_exo -55.2 -37.5 94.24 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.0 1.8 . . . . 0.0 112.925 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.96 -26.12 65.78 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.421 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 55.3 mtm180 -58.28 -43.52 88.02 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.451 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.406 ' O ' HD22 ' A' ' 49' ' ' LEU . 41.9 m -51.36 -40.09 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.392 0.432 . . . . 0.0 112.033 177.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.562 0.696 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.49 -42.54 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.284 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.2 mt-10 -62.29 -44.73 95.84 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.81 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -58.57 -43.36 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.627 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 t -64.78 -48.42 74.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.459 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.471 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -63.48 -23.72 67.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.032 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.0 mt -83.27 -50.11 8.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -70.02 -33.85 72.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.902 -172.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -106.47 -12.5 15.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.486 0.66 . . . . 0.0 109.899 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.07 -20.52 0.22 Allowed Glycine 0 CA--C 1.521 0.457 0 CA-C-N 114.829 -1.078 . . . . 0.0 114.058 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.27 151.7 18.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.691 -1.243 . . . . 0.0 113.064 164.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.68 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 17.7 mt -73.56 -3.0 25.17 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.072 0.549 . . . . 0.0 111.772 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.28 -38.08 50.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.845 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -90.78 6.24 45.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 16.0 m -100.49 54.93 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t70 -109.12 134.01 52.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.07 113.08 3.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.202 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.8 -4.71 22.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.28 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.6 p -148.3 174.39 12.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 61.33 29.64 18.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.788 0.328 . . . . 0.0 111.812 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.07 -8.33 70.94 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.427 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.88 121.31 66.15 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.13 145.48 84.69 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.462 2.108 . . . . 0.0 111.889 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.1 m -46.39 136.18 7.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.355 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -49.12 125.07 12.62 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.56 2.84 . . . . 0.0 112.883 -171.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 p -94.92 135.71 36.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.224 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 p -103.58 126.04 50.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.141 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 p -74.89 176.62 6.95 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.455 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -55.96 -43.07 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.14 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -90.97 -19.21 23.5 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.545 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 49.1 t -81.74 130.84 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -84.42 -52.51 6.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.419 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.13 142.18 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.597 0.237 . . . . 0.0 110.706 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ptm -161.37 143.44 11.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.25 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 31.4 t -133.64 145.15 49.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.734 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.27 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.477 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -128.47 108.81 10.85 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -178.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 46.45 48.44 13.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.669 -1.151 . . . . 0.0 110.976 -176.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.89 -24.35 6.85 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.395 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.86 133.45 31.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 80' ' ' SER . 58.8 t -129.4 112.18 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.044 0.449 . . . . 0.0 110.662 -172.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -104.87 124.08 48.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.028 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.16 148.44 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 m -140.42 149.52 42.7 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.293 -0.563 . . . . 0.0 112.294 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.87 46.1 31.89 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.762 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.707 ' HG2' ' SD ' ' A' ' 36' ' ' MET . 31.9 tp60 -88.66 124.45 34.1 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.831 -176.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.427 ' HG2' HE21 ' A' ' 91' ' ' GLN . 4.7 mm-40 45.84 -117.76 0.71 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.521 178.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.6 t -74.25 -14.62 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.003 0.43 . . . . 0.0 110.832 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 63.2 mt -89.58 37.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.188 0.518 . . . . 0.0 110.619 -175.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -53.55 133.01 41.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.574 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.15 -20.16 22.74 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.978 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 118' ' ' CYS . 10.5 tt -86.69 143.96 27.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.887 0.375 . . . . 0.0 110.77 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 m -124.67 127.96 48.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.284 177.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.59 129.4 54.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.41 108.63 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.127 0.489 . . . . 0.0 110.26 -175.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 47.9 ttp -91.56 111.5 23.04 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m -115.72 82.55 10.46 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.823 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.51 131.0 26.56 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.266 1.978 . . . . 0.0 111.984 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.141 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.878 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -139.42 123.2 17.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.66 130.73 35.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.457 ' HB2' ' HG2' ' A' ' 135' ' ' ARG . 6.4 mmm180 -109.68 120.7 43.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.22 136.9 53.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 97' ' ' LEU . 46.9 t -124.65 123.94 41.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -124.87 109.52 13.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 111.9 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.8 tp -134.6 110.88 13.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -71.65 -40.31 69.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -167.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -109.05 12.26 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -170.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -152.59 90.26 1.47 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.969 0.414 . . . . 0.0 111.962 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.3 m -60.83 -28.16 68.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.578 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.65 79.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.773 0.32 . . . . 0.0 111.463 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.12 -34.37 77.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.08 -38.23 82.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -53.96 -42.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.681 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.94 35.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.833 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.23 -53.53 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -68.36 -26.86 65.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.318 -175.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.89 -40.23 79.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.7 t -82.34 -40.06 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -83.08 -18.76 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 131' ' ' GLU . 57.8 mtp180 . . . . . 0 C--N 1.324 -0.509 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.581 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -61.49 -45.85 92.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.352 -174.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.7 -34.96 62.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 33.8 ttm180 -59.1 -41.92 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.739 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -57.93 -49.79 75.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.494 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.91 72.91 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.529 0.68 . . . . 0.0 109.45 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 68.2 mt -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.812 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 33.4 m -65.59 -41.92 92.29 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.228 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.31 -40.38 85.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.79 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.45 -42.27 98.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.545 ' O ' HG21 ' A' ' 41' ' ' VAL . 41.6 tp -57.97 -41.75 83.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 34' ' ' THR . 28.6 mm-40 -61.18 -34.26 74.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.423 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.571 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 39.2 m -75.7 -32.51 60.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.773 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.492 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 32.3 t80 -71.44 -35.07 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 37' ' ' LEU . 72.4 t -49.08 -51.12 58.9 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.8 Cg_exo -54.76 -32.46 76.59 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.015 1.81 . . . . 0.0 113.376 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -72.99 -27.79 62.01 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.154 -0.341 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -61.97 -37.93 86.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.162 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.424 ' O ' HD22 ' A' ' 49' ' ' LEU . 11.1 m -52.87 -45.13 67.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.579 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.29 76.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.561 0.696 . . . . 0.0 109.908 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.484 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 98.0 t -68.47 -39.68 81.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.585 -1.188 . . . . 0.0 110.123 176.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.85 -40.21 94.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.032 0.444 . . . . 0.0 110.225 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 45' ' ' THR . 4.0 mm? -62.33 -45.89 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.402 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 25.2 p -77.05 -21.62 54.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.692 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.95 63.86 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.29 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -81.12 -16.32 53.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.43 -34.8 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.569 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -107.25 -13.15 15.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 109.251 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.49 -20.5 6.05 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.239 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.93 158.09 14.63 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.399 161.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.79 -1.75 15.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.193 0.597 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.77 -34.91 13.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.841 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 p -87.63 9.86 19.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.2 m -105.82 58.22 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.174 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 32.2 t70 -106.68 140.01 40.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.764 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.39 101.91 1.67 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.132 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.86 5.91 23.36 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.96 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.0 t -148.14 161.11 42.1 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 59.64 38.44 22.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.653 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.5 -18.99 34.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.748 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.6 mt -86.18 126.65 64.4 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.87 162.36 39.46 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.111 1.874 . . . . 0.0 112.355 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t -43.46 137.54 3.01 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.257 173.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.606 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 5.2 Cg_endo -46.48 142.7 9.26 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 124.208 3.272 . . . . 0.0 113.516 -170.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m -98.6 140.65 32.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.693 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.36 177.25 4.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.7 p -142.33 175.64 9.61 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.7 -41.69 97.93 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.076 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.627 ' HB3' ' NE2' ' A' ' 91' ' ' GLN . 19.5 m-85 -82.74 -19.2 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -93.33 126.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.088 0.471 . . . . 0.0 110.841 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 t -91.63 -36.24 13.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.37 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' A' ' 89' ' ' THR . . . -150.74 152.4 33.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.028 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.606 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -149.32 168.27 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.396 0.617 . . . . 0.0 112.121 -174.412 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 39.3 t -163.04 136.36 5.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.751 176.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.06 113.93 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -135.72 111.03 9.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.946 0.403 . . . . 0.0 110.311 -176.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 51.33 44.33 28.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.591 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 87.48 -24.91 8.87 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.417 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.84 129.75 34.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 80' ' ' SER . 61.8 t -128.93 111.27 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 -172.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 33.0 t -104.64 120.88 42.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.772 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mp -113.85 123.84 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.46 ' HB ' ' HB1' ' A' ' 78' ' ' ALA . 30.8 m -115.97 148.85 39.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.807 0.337 . . . . 0.0 111.316 -172.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.11 46.88 55.98 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 114.009 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.627 ' NE2' ' HB3' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -78.99 121.15 24.56 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.406 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 41.2 mt-10 34.79 -112.94 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -173.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -74.7 -13.89 60.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.422 -175.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 65.6 mt -84.38 37.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.176 0.512 . . . . 0.0 110.294 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.07 135.65 56.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.261 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.66 -10.46 62.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.632 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -100.1 138.51 37.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.958 0.408 . . . . 0.0 110.426 -177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.2 m -118.29 121.08 39.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.356 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.539 HG23 ' SG ' ' A' ' 130' ' ' CYS . 21.6 t -90.09 119.81 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.06 102.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -177.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.492 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 56.8 ttp -87.09 110.84 20.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.5 m -107.72 90.36 6.17 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.171 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 58.3 Cg_endo -75.2 142.35 27.17 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.437 2.091 . . . . 0.0 111.826 176.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.808 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.545 176.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -103.95 123.42 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.625 0.25 . . . . 0.0 110.351 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -95.07 134.74 37.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -113.28 121.99 46.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.159 0.505 . . . . 0.0 111.472 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -131.77 113.32 13.38 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.253 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.5 114.58 28.97 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -104.43 105.22 15.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.147 0.499 . . . . 0.0 110.678 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 4.5 tp -135.68 95.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.019 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.97 -20.71 59.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.405 -167.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.5 p -99.34 -15.49 18.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -145.7 80.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.776 0.322 . . . . 0.0 111.045 -171.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.8 m -59.77 -24.94 64.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.828 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.05 -32.82 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.82 -41.42 83.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.44 -41.35 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.861 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -48.14 24.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.539 ' SG ' HG23 ' A' ' 99' ' ' VAL . 42.0 t -62.27 -52.81 62.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.115 -174.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.88 -33.46 75.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.121 0.486 . . . . 0.0 110.617 -175.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.98 -38.6 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.161 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 75.8 t -80.97 -46.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -71.57 -18.6 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.358 178.257 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m120 . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 120.494 0.188 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.17 -30.59 69.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.612 0.244 . . . . 0.0 111.277 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.4 -43.07 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' HD13 ' A' ' 33' ' ' LEU . 38.4 ttm180 -66.59 -36.63 83.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.759 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -57.05 -46.28 82.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.097 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.89 75.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.808 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.19 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.062 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 29' ' ' ARG . 4.7 mp -63.99 -41.0 97.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.161 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -66.85 -37.25 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.87 -41.93 82.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.435 ' HE3' ' OE1' ' A' ' 91' ' ' GLN . 15.4 tpt -64.1 -39.89 95.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.144 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.2 tp -62.89 -41.93 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.464 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -68.0 -30.19 69.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.0 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.627 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 54.3 m -75.19 -27.48 59.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.17 0.509 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -70.03 -33.99 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.56 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 87.3 t -50.46 -51.96 59.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' A' ' 39' ' ' THR . 47.1 Cg_exo -58.31 -25.44 72.67 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.258 1.972 . . . . 0.0 113.24 176.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.27 -34.59 61.37 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.524 0.678 . . . . 0.0 109.19 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 39.2 mtm180 -61.21 -34.16 74.64 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.195 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.598 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 25.6 m -50.84 -40.36 55.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.57 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.26 80.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.35 -41.25 73.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.329 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 44.7 mm-40 -64.41 -35.07 79.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.433 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 45' ' ' THR . 95.9 mt -61.42 -45.75 92.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.96 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.15 -45.62 76.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.568 177.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.07 71.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.752 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.6 tp -81.47 -21.54 38.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.969 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -78.45 -48.19 15.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -110.05 -13.68 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.62 -19.75 3.08 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 119.993 -0.337 . . . . 0.0 113.534 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.73 145.16 16.86 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.376 165.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 85.0 mt -74.92 -9.0 58.12 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.458 0.303 . . . . 0.0 111.713 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.4 -34.69 58.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.024 0.44 . . . . 0.0 111.741 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.9 p -82.55 -7.35 59.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.238 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 24.1 m -89.16 70.62 8.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 110.524 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -110.26 152.13 26.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.05 85.45 0.9 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.356 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.32 15.98 2.94 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.526 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 m -149.42 159.71 44.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.903 0.352 . . . . 0.0 110.802 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 54.7 41.21 32.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.158 0.583 . . . . 0.0 112.035 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.44 -19.17 25.09 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.172 176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mt -84.42 120.96 75.0 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.12 156.39 33.74 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.316 2.011 . . . . 0.0 112.167 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -54.02 136.64 57.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.327 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 30.5 Cg_endo -62.35 156.15 53.0 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.101 2.534 . . . . 0.0 112.867 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.3 p -116.31 162.39 17.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.999 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.402 HG21 ' HE2' ' A' ' 79' ' ' MET . 2.9 p -112.14 124.33 52.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 177.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.7 p -89.46 177.58 6.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.43 -43.62 68.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -98.87 16.52 22.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.413 HG21 HE22 ' A' ' 91' ' ' GLN . 98.4 t -104.75 129.61 57.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -92.78 -42.07 9.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.432 ' HB1' ' HB ' ' A' ' 89' ' ' THR . . . -154.38 160.96 41.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.051 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.486 ' H ' ' HE1' ' A' ' 79' ' ' MET . 0.0 OUTLIER -160.4 156.93 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.523 -176.392 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 77.6 p -157.21 141.68 16.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.868 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.4 t -123.12 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.11 109.7 5.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.456 . . . . 0.0 110.083 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 54.25 41.34 32.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.237 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.76 -22.87 8.35 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 113.096 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.446 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 44.0 t -69.93 134.04 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' A' ' 80' ' ' SER . 24.4 m -135.08 119.88 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.527 0.68 . . . . 0.0 110.872 -174.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.3 m -103.51 120.69 41.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.343 175.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -114.44 111.19 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.113 -177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.432 ' HB ' ' HB1' ' A' ' 78' ' ' ALA . 33.3 m -106.49 148.16 28.52 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.536 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.75 47.84 82.47 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.436 -178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 25.2 tp60 -89.06 126.16 35.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 54.44 -141.45 0.86 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.172 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -65.49 -12.43 52.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.046 0.45 . . . . 0.0 111.469 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 35.7 mt -80.76 40.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.166 0.586 . . . . 0.0 110.858 -173.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -55.57 138.45 46.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.065 0.46 . . . . 0.0 110.535 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.25 -19.69 21.28 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.662 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.521 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.8 tt -88.93 139.38 30.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t -120.09 123.28 43.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.977 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 87' ' ' SER . 23.7 t -96.11 126.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.96 102.73 14.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 38.6 ttm -98.61 110.65 23.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.936 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.2 m -111.84 97.79 39.09 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.945 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 114' ' ' TRP . 23.1 Cg_endo -64.2 129.87 25.5 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.064 1.843 . . . . 0.0 110.977 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.364 -177.154 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.829 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 103' ' ' PRO . 21.4 m-90 -112.71 135.4 53.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 0.0 111.62 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.98 120.48 31.23 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -109.32 140.05 43.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.05 0.453 . . . . 0.0 110.852 -177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -142.21 124.63 15.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.609 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -104.76 114.54 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -109.34 105.88 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -135.43 104.21 4.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.252 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.05 -38.39 66.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -168.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -98.65 0.64 45.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -145.67 75.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.495 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.5 m -59.24 -19.93 49.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.676 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.5 -32.8 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.188 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 8.3 tt0 -61.09 -48.36 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 177.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -62.23 -33.58 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.286 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.14 -41.96 60.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.002 0.43 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.81 -52.4 56.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.107 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 12.2 pt-20 -61.84 -24.15 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -178.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.17 -51.28 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.882 0.372 . . . . 0.0 110.695 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.53 -48.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.414 0.626 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -81.62 24.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.892 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 121.85 0.833 . . . . 0.0 112.662 -171.157 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.681 0.277 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.21 -74.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.947 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 56.32 51.2 11.91 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.764 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.37 -34.08 77.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.935 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.63 -49.37 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 44.9 ttp180 -67.66 -37.38 82.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.385 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.3 -48.03 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.52 70.92 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.9 77.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.534 0.683 . . . . 0.0 109.665 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.5 mt -65.54 -33.57 76.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.92 176.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 51.1 m -63.9 -42.77 97.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.076 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.08 -35.93 79.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.5 tpp -60.33 -43.79 96.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.671 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.15 -39.22 93.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.431 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.8 mm-40 -66.87 -24.51 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.589 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 27.1 m -75.13 -32.73 61.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.206 0.527 . . . . 0.0 110.09 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.473 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 25.7 t80 -70.21 -34.65 73.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.806 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 54.9 t -45.9 -53.41 21.15 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.589 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.4 Cg_exo -57.79 -36.7 98.2 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.76 1.64 . . . . 0.0 112.587 177.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -71.66 -25.76 62.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.245 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -58.03 -47.1 84.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.249 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -53.15 -42.04 65.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.504 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.421 0.629 . . . . 0.0 110.338 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.99 -45.82 95.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.948 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.37 -41.22 85.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.348 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.87 -44.08 91.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.85 -60.77 3.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.588 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.37 -29.21 65.83 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.19 -47.82 12.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.764 0.316 . . . . 0.0 111.496 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -77.22 -43.3 34.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -89.6 -6.67 56.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.671 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.3 19.79 57.81 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.155 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.96 140.72 10.92 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.647 -1.264 . . . . 0.0 111.585 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.3 mt -78.48 -26.27 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.907 0.854 . . . . 0.0 109.319 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.0 t70 -61.98 -25.53 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.125 -175.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.0 p -87.65 -7.47 57.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.214 0.531 . . . . 0.0 111.447 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 m -89.11 57.64 4.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.215 -172.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -104.93 151.65 23.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.058 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.64 119.39 8.31 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.429 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 5.35 32.6 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.669 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -148.61 165.97 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.892 0.346 . . . . 0.0 110.315 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 53.46 39.47 30.01 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.85 -13.52 48.0 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.752 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 38.8 mt -82.48 127.45 70.7 Favored Pre-proline 0 N--CA 1.447 -0.575 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 33.7 Cg_exo -57.91 159.71 17.19 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.772 2.314 . . . . 0.0 112.427 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -76.71 141.79 69.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.757 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.07 122.97 12.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.221 1.947 . . . . 0.0 111.497 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -149.82 179.44 8.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.288 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 p -129.74 126.53 38.44 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.165 0.507 . . . . 0.0 110.925 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.2 p -80.31 177.0 9.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -55.01 -43.58 73.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.845 0.293 . . . . 0.0 111.642 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -88.08 -18.96 27.75 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.466 -0.493 . . . . 0.0 112.085 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.442 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 57.0 t -81.42 127.43 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.143 0.496 . . . . 0.0 110.419 -176.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -85.98 -43.49 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.516 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.68 143.47 1.71 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.711 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 87' ' ' SER . 11.1 ptp -159.8 140.52 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.539 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 16.5 m -126.92 148.44 50.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.68 112.56 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.98 110.82 9.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 0.0 110.617 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 59.4 mmtt 54.22 40.18 31.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.419 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.08 -24.52 6.06 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.06 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.69 136.64 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 80' ' ' SER . 29.3 m -133.44 122.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.515 0.674 . . . . 0.0 110.448 -175.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 79' ' ' MET . 4.6 p -101.67 126.25 48.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.847 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -102.93 126.96 50.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.882 -1.053 . . . . 0.0 108.253 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -121.33 135.21 55.12 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.867 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.15 39.52 42.27 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.358 -0.837 . . . . 0.0 113.662 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 20.5 tp60 -82.48 127.1 32.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -174.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 60.68 -141.27 0.54 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.22 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -63.74 -12.67 36.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 49.5 mt -81.25 37.44 0.45 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 111.284 -171.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -54.73 132.84 46.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.67 -20.55 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.708 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.563 HD12 ' SG ' ' A' ' 130' ' ' CYS . 9.8 tt -87.82 143.28 27.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.201 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 18.8 m -128.96 125.07 36.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.995 176.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 87' ' ' SER . 63.7 t -100.24 130.48 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.11 104.81 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.902 0.382 . . . . 0.0 110.423 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.508 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 39.7 tpp -91.24 110.9 22.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.608 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.3 m -115.43 93.79 37.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.701 0.286 . . . . 0.0 111.398 -176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.448 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 38.0 Cg_endo -68.09 135.86 36.01 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.802 2.334 . . . . 0.0 112.603 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 112' ' ' THR . . . -107.49 145.7 16.13 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.681 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -140.1 66.51 1.39 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -123.74 96.08 4.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.574 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -64.38 -29.01 70.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.643 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -26.74 65.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -101.8 3.51 39.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.15 178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.06 32.95 63.4 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.186 -0.916 . . . . 0.0 113.017 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.1 m -120.66 132.66 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.135 0.493 . . . . 0.0 111.614 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 104' ' ' GLY . 29.8 m -155.69 81.38 1.02 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.449 176.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -154.19 -175.74 25.75 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.764 -178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.508 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 22.2 m-90 -109.91 122.28 47.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.747 0.273 . . . . 0.0 110.544 -178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.48 133.33 36.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.125 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtm-85 -115.86 142.07 47.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.928 0.394 . . . . 0.0 111.45 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -145.84 140.04 26.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.698 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.1 m -107.65 116.32 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.449 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -110.41 102.29 10.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.135 0.493 . . . . 0.0 109.77 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.6 tp -138.49 100.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.455 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -75.82 -34.9 60.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.8 p -95.93 -9.52 31.04 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -142.81 85.92 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -60.67 -28.02 68.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.633 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.3 85.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.947 0.403 . . . . 0.0 111.388 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.74 -32.1 70.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.126 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.529 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 7.3 tt0 -63.01 -40.75 98.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.187 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.2 -36.92 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.356 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.78 -48.34 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.563 ' SG ' HD12 ' A' ' 97' ' ' LEU . 20.7 p -70.88 -42.18 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.307 -175.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 7.8 pt-20 -62.4 -23.79 67.02 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.032 0.208 . . . . 0.0 110.947 -178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.2 -49.43 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.917 0.389 . . . . 0.0 110.423 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.7 t -82.88 -46.51 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.27 0.557 . . . . 0.0 111.207 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -85.82 24.07 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.781 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -50.83 140.11 15.66 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.609 -170.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.427 ' HB2' ' HB3' ' A' ' 141' ' ' LEU . 7.7 p90 -135.33 129.07 32.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.305 -169.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.16 157.61 25.23 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.72 -38.11 63.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.113 0.483 . . . . 0.0 111.261 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.15 53.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.001 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -115.41 24.15 11.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.318 0.58 . . . . 0.0 111.229 -173.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 136' ' ' PHE . 4.5 pp -118.06 139.05 51.79 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.941 173.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.11 126.73 84.94 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.49 132.79 28.19 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.298 1.998 . . . . 0.0 112.384 -174.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 144' ' ' ARG . 12.3 mmm180 -127.39 137.98 52.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.493 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -143.39 158.4 27.26 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.72 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.2 m -96.92 117.75 31.81 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 74.11 -34.6 0.92 Allowed Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.637 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.7 mt -103.36 87.44 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.436 0.618 . . . . 0.0 111.438 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -113.79 -31.91 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.855 170.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -69.49 136.09 51.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.571 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -102.25 111.28 23.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.131 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -78.23 84.19 4.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.038 0.446 . . . . 0.0 110.235 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -99.94 -36.71 9.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.201 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -80.96 106.67 13.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.885 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.362 -178.208 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 49.66 44.27 24.52 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.266 0.555 . . . . 0.0 111.826 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 31.0 p30 -140.64 19.73 2.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.375 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -74.02 -40.79 62.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.442 -172.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.38 -34.3 74.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.207 0.527 . . . . 0.0 109.766 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.8 ttp180 -67.45 -33.5 75.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 176.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 65.5 mttm -56.6 -50.43 71.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.195 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.89 82.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -62.34 -45.63 92.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.606 . . . . 0.0 110.132 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.5 mt -67.85 -32.66 73.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.031 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.1 m -64.65 -36.98 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.82 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.04 -39.14 83.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.83 -39.84 95.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.063 176.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.69 -43.0 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.33 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -68.65 -27.48 66.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.529 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.603 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 41.8 m -75.27 -30.52 60.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.301 0.572 . . . . 0.0 110.059 173.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.427 ' CE1' ' HG2' ' A' ' 101' ' ' MET . 39.4 t80 -70.31 -34.23 72.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.951 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.519 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 77.9 t -50.16 -50.79 67.75 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.603 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.2 Cg_exo -56.68 -31.8 88.71 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.968 1.779 . . . . 0.0 112.955 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.24 -31.55 62.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.46 0.647 . . . . 0.0 109.631 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 98.8 mtt180 -58.55 -36.15 73.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.615 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.514 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.9 m -52.01 -42.49 63.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.121 0.263 . . . . 0.0 111.207 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 110.065 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.15 -42.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.16 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 43.2 mt-10 -65.58 -39.74 91.96 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -58.98 -44.25 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.381 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.25 -52.82 60.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.127 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.643 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -55.52 -27.9 51.52 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.705 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.43 -39.18 22.97 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.092 -0.38 . . . . 0.0 111.413 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.71 -44.34 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.767 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -107.63 -13.73 14.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 110.941 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.643 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 65.73 -20.46 0.15 Allowed Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.442 -0.799 . . . . 0.0 114.079 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.65 145.74 16.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 119.668 -1.253 . . . . 0.0 113.079 164.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.592 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 31.7 mt -73.22 -3.51 27.17 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.021 0.528 . . . . 0.0 111.239 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.501 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 4.2 m-20 -48.89 -36.95 18.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.186 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -95.19 4.72 53.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 30.6 m -94.26 56.96 2.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.504 0.668 . . . . 0.0 109.691 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -104.1 137.58 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.791 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.09 102.68 1.19 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.573 -0.823 . . . . 0.0 111.623 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.8 0.25 7.17 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.765 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.2 p -148.1 169.59 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.899 0.35 . . . . 0.0 110.469 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 58.71 34.17 23.59 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.743 0.417 . . . . 0.0 112.121 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.07 -18.86 33.63 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.478 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.9 mt -81.36 126.1 77.34 Favored Pre-proline 0 N--CA 1.448 -0.563 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.3 147.31 47.15 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.431 2.087 . . . . 0.0 112.44 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.2 m -46.49 136.52 7.29 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.238 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.29 135.76 53.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.98 2.453 . . . . 0.0 112.177 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 t -133.8 174.7 10.17 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 p -128.82 126.51 40.0 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.024 0.44 . . . . 0.0 110.395 -177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' HG22 ' A' ' 76' ' ' VAL . 52.9 p -72.14 177.53 4.37 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -55.02 -42.92 73.2 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.254 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -86.82 -18.52 30.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.442 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 72.1 t -82.08 129.51 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.176 0.513 . . . . 0.0 110.428 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 t -89.31 -40.31 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.924 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.0 139.36 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.421 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.9 ptm -166.93 143.68 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.365 0.416 . . . . 0.0 110.597 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -137.47 153.58 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.21 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.0 116.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.071 -176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -133.73 111.66 10.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 34.5 mmtp 53.47 42.61 31.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.104 -177.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.96 -23.75 3.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-N 116.444 -0.343 . . . . 0.0 112.967 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 52.3 t -66.22 139.18 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.2 t -135.55 110.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.967 0.413 . . . . 0.0 109.903 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 9.0 t -105.15 132.29 51.55 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.331 0.586 . . . . 0.0 111.073 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.93 142.43 45.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 m -123.48 130.28 52.46 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.96 0.409 . . . . 0.0 111.683 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 49.66 46.27 38.5 Favored Glycine 0 C--N 1.332 0.314 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.709 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.533 ' NE2' ' HG3' ' A' ' 92' ' ' GLU . 46.4 tp60 -69.81 124.28 23.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.534 0.207 . . . . 0.0 110.92 -175.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HG3' ' NE2' ' A' ' 91' ' ' GLN . 44.9 mt-10 46.02 -117.29 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.142 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 m -74.38 -14.34 60.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.588 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.492 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 58.4 mt -84.94 38.74 0.72 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.272 0.558 . . . . 0.0 110.364 -172.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.8 136.27 55.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.568 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.49 -18.94 16.28 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.659 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.7 tt -88.2 137.74 32.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 m -115.31 125.53 53.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.407 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 87' ' ' SER . 36.6 t -101.84 133.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.71 105.55 16.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.33 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.427 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 35.5 tpp -89.52 110.54 21.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 m -116.08 106.59 49.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.608 0.242 . . . . 0.0 111.513 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.33 140.35 69.97 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 123.039 2.492 . . . . 0.0 112.413 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.84 167.52 16.34 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.387 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -108.34 113.63 26.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.854 0.359 . . . . 0.0 110.467 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.457 ' HB2' ' HB2' ' A' ' 109' ' ' ASN . 6.4 p-10 -147.59 54.23 1.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.553 0.692 . . . . 0.0 110.294 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.57 -32.81 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.735 -174.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.7 -22.4 43.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 111.742 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.457 ' HB2' ' HB2' ' A' ' 106' ' ' ASP . 95.0 m-20 -90.53 -15.39 30.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.888 0.375 . . . . 0.0 111.174 -176.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.83 25.89 45.9 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.461 -0.79 . . . . 0.0 114.603 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 m -134.25 58.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.683 0.742 . . . . 0.0 110.676 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.9 m -43.53 116.02 0.88 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.802 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -114.29 158.09 14.54 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.143 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -116.77 128.73 55.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.79 124.8 33.99 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 134' ' ' PHE . 65.7 mtm180 -109.4 140.88 42.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.812 -173.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -144.1 130.2 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.012 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 82.2 m -108.96 115.21 29.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -110.82 105.0 13.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.028 0.442 . . . . 0.0 110.871 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.66 104.48 4.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.357 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.29 -38.21 63.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -169.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.2 p -95.67 -8.81 33.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -139.89 88.41 2.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.743 -170.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 39.8 m -60.64 -26.66 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.212 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.6 98.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.65 -33.2 74.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 109.823 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.48 -39.62 94.92 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.302 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 124' ' ' SER . 27.3 mm-40 -59.62 -38.31 80.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.991 0.424 . . . . 0.0 110.889 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.87 -48.15 26.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.926 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.19 -52.54 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.394 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.5 tt0 -64.47 -22.82 67.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.042 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.42 -49.19 78.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 0.0 109.806 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.1 t -83.89 -48.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.518 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.583 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 92.7 m-85 -90.75 24.72 2.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.402 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 27.4 ptt180 -51.34 146.1 7.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.069 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -86.08 124.82 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.811 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -83.63 145.24 28.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.27 0.557 . . . . 0.0 110.592 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -86.32 5.08 36.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.936 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.17 -49.37 9.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.683 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -81.02 -27.44 35.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 82.1 mt -87.16 92.82 9.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.77 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.19 123.88 87.51 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.483 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.39 144.21 62.51 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.686 2.257 . . . . 0.0 111.587 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -75.57 99.19 4.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.09 0.472 . . . . 0.0 110.802 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -134.03 -158.78 8.69 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.466 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 38.7 m -78.81 153.21 30.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.006 0.431 . . . . 0.0 111.031 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.47 -26.2 10.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.158 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.51 95.13 6.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.39 -36.33 16.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.225 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -89.07 131.09 35.39 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.555 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -84.7 123.84 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.963 0.411 . . . . 0.0 110.127 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -72.59 140.27 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.44 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -137.38 99.44 3.97 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.414 0.626 . . . . 0.0 110.348 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -123.51 147.15 47.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.137 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.041 -179.623 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' C ' HD21 ' A' ' 26' ' ' ASN . 43.9 tt0 -75.56 -64.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.362 -177.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.426 HD21 ' C ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -120.82 11.16 11.07 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.246 -0.283 . . . . 0.0 111.586 -179.457 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -62.92 -40.02 96.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.534 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.76 -41.9 71.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.986 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 25.0 ttp180 -62.84 -40.18 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.24 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.67 -47.58 77.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.37 78.1 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.309 0.576 . . . . 0.0 110.132 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 87.3 mt -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.474 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.49 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 86.9 m -64.56 -39.93 94.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.082 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.53 -38.67 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.974 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.878 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.64 -41.83 91.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 34' ' ' THR . 30.6 mm-40 -64.53 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.602 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.526 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 m -75.35 -22.72 57.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.465 0.65 . . . . 0.0 110.403 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 30.2 t80 -70.44 -34.17 72.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.846 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.556 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 98.0 t -54.38 -50.63 83.95 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.984 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 50.9 Cg_exo -56.22 -24.54 51.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.27 1.98 . . . . 0.0 113.109 173.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.41 ' HD1' ' O ' ' A' ' 39' ' ' THR . 30.5 m-85 -76.12 -39.45 55.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 5.7 mmp_? -58.27 -44.17 88.27 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.451 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.489 ' O ' HD22 ' A' ' 49' ' ' LEU . 13.2 m -50.77 -39.61 52.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.74 78.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.532 0.682 . . . . 0.0 110.553 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.4 -48.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.058 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 64.1 mm-40 -65.13 -37.48 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.908 0.385 . . . . 0.0 110.516 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' O ' ' A' ' 45' ' ' THR . 4.2 mm? -66.71 -36.21 81.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.439 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.6 t -65.88 -47.59 74.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.826 173.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -57.32 -24.25 53.86 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.619 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 tp -82.74 -39.77 21.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.949 0.404 . . . . 0.0 110.804 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -43.25 86.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.896 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -107.4 -12.47 15.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.379 0.609 . . . . 0.0 110.216 -176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 70.86 -21.47 0.6 Allowed Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.179 -0.918 . . . . 0.0 113.044 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.53 152.76 17.33 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.859 163.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 50.6 mt -73.42 -3.38 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.845 0.458 . . . . 0.0 111.433 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 6.7 m-20 -49.66 -40.39 39.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.319 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 p -86.85 -5.71 59.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.108 0.48 . . . . 0.0 111.631 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.429 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 29.3 m -91.67 57.0 3.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.378 0.608 . . . . 0.0 110.346 -173.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.581 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t70 -112.59 151.82 29.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.013 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.67 93.0 0.45 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.08 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.18 3.73 3.85 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.119 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -148.37 158.49 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.373 0.586 . . . . 0.0 111.476 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.58 47.35 18.72 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.914 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.21 -19.06 37.21 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.958 175.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -92.41 117.69 67.74 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.69 165.19 33.43 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.435 2.09 . . . . 0.0 112.438 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -45.99 142.06 4.1 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.177 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.79 134.72 64.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.081 2.521 . . . . 0.0 111.888 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -139.38 -179.96 6.19 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.9 p -132.08 126.54 34.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.12 0.485 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -77.3 176.5 8.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.17 -44.54 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -168.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -97.98 10.54 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.804 -0.56 . . . . 0.0 112.295 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.68 132.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.847 0.356 . . . . 0.0 110.126 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 m -87.07 -45.63 10.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.07 134.2 1.23 Allowed 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.056 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.448 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.6 ptm -158.53 141.5 14.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.424 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.2 t -130.99 147.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.0 119.7 60.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.581 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -133.75 108.85 8.74 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.4 mmtp 48.58 49.21 18.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.668 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.75 -24.31 4.53 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.349 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -70.7 142.63 15.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 25.4 m -133.35 117.09 26.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.492 0.663 . . . . 0.0 110.596 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' HA ' ' A' ' 79' ' ' MET . 13.5 p -104.78 128.88 53.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.486 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.28 149.82 38.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.277 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.6 m -137.57 141.84 41.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.18 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.02 41.7 22.14 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.311 -0.859 . . . . 0.0 113.901 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.473 HE21 ' HG2' ' A' ' 92' ' ' GLU . 27.2 tp60 -73.9 123.14 23.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.786 0.293 . . . . 0.0 110.551 -174.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.473 ' HG2' HE21 ' A' ' 91' ' ' GLN . 21.8 mm-40 48.14 -120.92 1.31 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.741 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.6 t -74.89 -13.63 60.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 111.28 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 71.1 mt -81.44 39.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.261 0.553 . . . . 0.0 110.535 -174.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -57.1 134.34 55.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.13 -16.18 34.78 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.617 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.3 tt -96.24 135.33 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.32 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.2 t -114.7 135.25 54.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.808 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 46.4 t -112.02 124.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.91 108.81 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.596 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 52.2 tpp -94.21 110.35 22.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.6 m -114.46 105.4 53.78 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.118 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.83 131.68 24.73 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.512 2.142 . . . . 0.0 111.418 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.83 26.49 1.12 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.728 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.443 ' HB2' ' HB1' ' A' ' 115' ' ' ALA . 67.5 t-105 -82.64 -31.64 28.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.134 0.493 . . . . 0.0 110.583 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -74.1 109.94 7.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.236 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -68.77 -26.48 65.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.057 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.99 77.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.645 -176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.622 ' HB2' ' OG1' ' A' ' 112' ' ' THR . 32.9 m-80 -101.35 -28.72 12.45 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.888 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.38 -37.36 3.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.562 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.2 m -100.42 -7.32 9.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.622 ' OG1' ' HB2' ' A' ' 109' ' ' ASN . 1.0 OUTLIER -101.36 171.3 7.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.776 0.322 . . . . 0.0 111.519 -176.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.33 110.71 0.34 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.062 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.596 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 6.0 m-90 -88.99 123.56 33.43 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 105' ' ' TRP . . . -95.77 135.84 36.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.645 0.259 . . . . 0.0 110.753 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.552 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -108.49 142.06 39.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.45 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 47.3 t-20 -142.08 120.17 12.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.267 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.1 m -105.63 115.47 30.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.15 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -108.09 102.27 11.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.6 tp -137.14 106.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.693 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.94 -38.62 64.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.8 p -97.12 -22.64 16.64 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -169.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.448 ' H ' HG13 ' A' ' 120' ' ' ILE . 13.1 m-20 -129.43 96.29 4.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.2 t -61.0 -29.3 69.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.313 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.31 83.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.742 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.48 -36.27 80.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.269 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.589 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 45.2 tt0 -62.24 -44.44 96.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 49.2 mt-30 -57.59 -32.08 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.24 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.12 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.477 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 30.5 p -70.52 -48.13 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.381 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 10.3 pt-20 -63.03 -25.24 68.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.714 0.292 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 19.7 t70 -69.71 -43.3 72.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 135' ' ' ARG . 88.9 t -82.59 -43.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.189 0.518 . . . . 0.0 111.183 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.23 21.81 0.88 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.065 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.47 ' H ' ' C ' ' A' ' 133' ' ' VAL . 6.1 ptm180 -51.28 150.32 3.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.492 -173.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.448 ' CD1' HD11 ' A' ' 141' ' ' LEU . 1.3 p90 -95.79 115.32 27.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.871 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.88 135.52 52.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.613 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -65.8 -8.85 23.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.196 -175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.97 72.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.054 0.455 . . . . 0.0 110.279 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.2 9.25 43.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.824 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.448 HD11 ' CD1' ' A' ' 136' ' ' PHE . 76.5 mt -123.48 107.56 11.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.363 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.09 122.55 75.94 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 121.037 0.446 . . . . 0.0 109.888 174.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.8 137.47 22.25 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.411 2.074 . . . . 0.0 112.323 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 148' ' ' LEU . 17.0 mmm180 -117.72 98.3 6.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.676 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 71.95 -174.99 42.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.09 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.7 m -101.47 123.03 44.87 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.665 -0.315 . . . . 0.0 110.572 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.32 0.29 88.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.061 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' A' ' 144' ' ' ARG . 58.2 mt -102.33 90.64 3.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.813 0.339 . . . . 0.0 110.167 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -104.91 -52.25 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.789 0.328 . . . . 0.0 110.6 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -139.53 75.24 1.5 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.022 0.439 . . . . 0.0 110.129 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 148' ' ' LEU . 19.7 m-70 -103.13 109.19 20.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.287 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -176.54 -34.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.455 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -94.74 128.65 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.725 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -150.54 158.53 44.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.361 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.643 -0.694 . . . . 0.0 110.539 -177.197 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.497 0.189 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -88.92 138.68 31.19 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -125.29 35.66 4.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 76.2 t80 -64.77 -36.37 84.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.05 -38.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 0.0 109.987 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.82 -34.15 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.36 176.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 27' ' ' TYR . 66.0 mttm -57.87 -49.17 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.325 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' ' HB ' ' A' ' 34' ' ' THR . . . -61.14 -26.35 67.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.826 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.56 96.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.101 0.477 . . . . 0.0 110.028 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 HD23 HD11 ' A' ' 94' ' ' LEU . 1.7 mm? -68.23 -31.78 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.068 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 31' ' ' ALA . 69.8 m -58.31 -45.94 87.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.07 -38.31 85.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 tpt -66.75 -40.6 88.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.413 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 41' ' ' VAL . 19.7 tp -63.02 -40.8 98.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.104 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 34' ' ' THR . 83.1 mm-40 -67.18 -23.31 65.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.041 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.6 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 46.7 m -75.46 -34.47 60.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -70.22 -34.81 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.501 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 60.5 t -46.91 -53.16 28.34 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.6 ' HD2' ' O ' ' A' ' 39' ' ' THR . 31.5 Cg_exo -58.52 -33.41 98.02 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 112.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 47' ' ' VAL . 82.2 m-85 -72.24 -27.23 62.38 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.534 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.7 mtm180 -55.72 -47.74 76.36 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.622 0.249 . . . . 0.0 110.399 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.439 ' O ' HD21 ' A' ' 49' ' ' LEU . 12.4 m -52.63 -42.16 64.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.372 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.81 86.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.688 0.756 . . . . 0.0 110.061 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 43' ' ' TYR . 73.0 t -63.56 -38.86 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.482 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 48.7 mt-10 -61.36 -43.09 99.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.978 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -61.26 -45.01 96.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.8 t -68.52 -36.13 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.788 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.17 76.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -81.94 -25.4 34.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.922 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.12 -44.57 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.035 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -109.41 -12.97 14.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.351 0.596 . . . . 0.0 110.787 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.16 -18.72 12.32 Favored Glycine 0 N--CA 1.454 -0.149 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.72 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.48 151.41 18.31 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.107 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.56 -2.43 22.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.958 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 30.5 t70 -52.2 -30.22 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 p -90.01 -3.87 57.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -89.43 67.93 7.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.436 0.636 . . . . 0.0 111.056 -174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -102.85 137.6 40.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.514 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.83 108.95 2.47 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.718 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.39 -3.42 18.21 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.128 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -135.47 167.03 21.83 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.682 -0.305 . . . . 0.0 110.703 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 55.92 37.42 28.83 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.25 -2.81 60.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.689 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 56.4 mt -87.29 128.68 54.36 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 31.2 Cg_exo -59.88 164.44 11.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.749 2.299 . . . . 0.0 112.34 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -84.37 147.93 51.29 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.471 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 28.1 Cg_endo -62.71 124.55 14.31 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.85 1.7 . . . . 0.0 111.512 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -136.61 169.52 17.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.4 p -118.56 124.25 47.04 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.171 0.51 . . . . 0.0 110.518 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -82.02 177.99 8.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.374 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -53.58 -42.82 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -174.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' HB3' ' CG ' ' A' ' 92' ' ' GLU . 31.6 m-85 -92.53 -16.04 26.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.14 122.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 122.012 -0.43 . . . . 0.0 110.434 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -86.08 -31.02 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.442 ' HB1' ' HB ' ' A' ' 89' ' ' THR . . . -162.39 145.31 11.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.973 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.499 ' HA ' ' O ' ' A' ' 87' ' ' SER . 4.8 ppp? -170.19 142.78 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.725 0.64 . . . . 0.0 110.151 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 17.8 t -144.21 155.32 43.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.598 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.1 t -114.8 117.05 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.751 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.95 110.94 11.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.136 0.493 . . . . 0.0 110.31 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 31.4 mmtp 51.84 44.65 29.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.948 -178.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.41 -24.93 3.97 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.312 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.23 141.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 80' ' ' SER . 22.0 m -133.2 113.89 20.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.473 0.654 . . . . 0.0 110.487 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' A' ' 79' ' ' MET . 21.1 t -104.12 123.02 46.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.812 177.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.59 158.19 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.128 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.442 ' HB ' ' HB1' ' A' ' 78' ' ' ALA . 15.9 m -144.8 146.04 31.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.681 0.276 . . . . 0.0 110.806 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 52.47 47.92 55.96 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.261 -0.881 . . . . 0.0 115.09 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.473 HE22 ' HG3' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -71.35 122.86 21.07 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 75' ' ' TYR . 34.8 mt-10 43.03 -115.39 0.36 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -175.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 m -74.18 -13.65 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.459 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.466 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 58.6 mt -85.19 38.54 0.73 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.087 -171.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.461 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 7.6 p30 -55.16 139.15 42.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.84 -23.87 5.55 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.971 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 10.0 tt -80.22 132.4 35.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 m -114.8 132.36 56.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.184 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.79 126.36 64.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.23 105.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.509 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 45.4 ttm -101.6 114.64 28.86 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.075 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.4 ' HB ' ' HB1' ' A' ' 115' ' ' ALA . 11.4 m -107.4 93.14 9.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.191 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 101' ' ' MET . 19.0 Cg_exo -65.81 145.75 81.53 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.588 2.192 . . . . 0.0 111.687 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.13 84.26 1.29 Allowed Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.642 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -76.91 -29.32 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -106.97 98.82 8.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.826 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -55.71 -35.24 65.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -172.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.74 -21.16 55.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -110.58 21.95 15.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.376 0.608 . . . . 0.0 110.409 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.48 -127.35 41.9 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.896 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.8 m -83.0 72.83 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -172.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.5 p -78.64 -15.93 57.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.185 0.517 . . . . 0.0 111.06 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -172.24 -177.15 41.54 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -132.97 122.8 24.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.943 0.371 . . . . 0.0 110.532 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' A' ' 102' ' ' THR . . . -90.45 113.01 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -110.0 121.01 44.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -118.62 121.02 39.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.525 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 72.3 m -103.69 116.21 31.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -118.98 104.36 10.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.58 100.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.28 -38.29 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -167.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 t -89.7 -23.3 21.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -132.34 92.56 3.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.8 m -61.33 -27.59 68.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.708 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.68 76.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.068 0.461 . . . . 0.0 111.337 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.54 -32.94 70.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 109.833 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -63.44 -37.22 86.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.652 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -54.37 -36.15 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.293 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.17 -47.04 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.33 -52.16 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.029 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.15 -25.85 67.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.509 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.71 -52.12 66.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.911 0.386 . . . . 0.0 110.62 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.64 -46.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.325 -178.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.464 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 96.0 m-85 -87.22 22.63 2.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.209 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -50.59 147.25 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.593 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -114.96 114.62 25.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.4 -174.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.81 138.4 57.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.861 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -66.84 -20.21 65.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.745 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.9 -18.22 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.767 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -90.37 -17.73 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.683 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.9 mt -81.26 -162.36 0.49 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.863 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.3 p -102.31 118.2 59.46 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.219 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.09 138.03 22.3 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.524 2.149 . . . . 0.0 111.904 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -102.67 108.13 19.28 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 100.66 87.98 1.99 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.7 m -56.57 120.63 8.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.955 0.407 . . . . 0.0 111.422 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.61 -4.01 75.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.45 177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.68 90.87 4.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.712 0.292 . . . . 0.0 110.415 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.98 -27.39 60.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -83.28 94.2 7.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.448 173.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -82.1 113.32 19.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.088 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -152.95 -63.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 54.89 60.92 3.2 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.527 0.517 . . . . 0.0 112.388 176.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -162.63 103.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.006 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 10.4 p80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.291 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.534 0.207 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.84 -61.69 1.79 Allowed 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 55.42 76.29 0.28 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.981 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -62.03 -33.94 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 -174.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.1 -41.44 86.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.51 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.3 ttm180 -66.94 -38.57 86.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.108 176.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.92 -44.41 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.127 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.55 74.81 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.06 81.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.459 0.647 . . . . 0.0 109.595 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.2 mt -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.79 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -69.59 -37.6 76.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.25 -46.6 83.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.311 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.411 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 20.1 ptm -67.09 -35.56 80.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.111 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' O ' HG21 ' A' ' 41' ' ' VAL . 23.5 tp -63.56 -42.24 98.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.294 175.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -65.64 -22.95 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.403 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.564 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.8 m -73.83 -37.28 64.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.399 0.618 . . . . 0.0 109.919 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.46 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 37.0 t80 -70.89 -34.34 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.233 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.0 t -47.23 -52.61 33.96 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 39' ' ' THR . 40.3 Cg_exo -58.32 -36.02 98.09 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.826 1.684 . . . . 0.0 112.39 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.468 ' O ' HG23 ' A' ' 47' ' ' VAL . 52.5 m-85 -68.51 -28.04 66.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.982 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.551 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 52.6 mtm180 -58.24 -46.24 86.29 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD22 ' A' ' 49' ' ' LEU . 30.9 m -53.32 -44.1 68.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.454 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.24 85.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.424 0.63 . . . . 0.0 110.183 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 43' ' ' TYR . 76.4 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.98 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.0 -41.25 97.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.473 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -65.22 -41.77 94.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.411 ' SG ' HG23 ' A' ' 59' ' ' THR . 27.8 t -63.55 -50.65 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.991 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.15 -30.56 49.57 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.931 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -26.47 59.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.999 0.428 . . . . 0.0 110.784 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.66 -46.38 69.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -110.29 -12.48 14.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.131 0.491 . . . . 0.0 111.298 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 -19.94 12.8 Favored Glycine 0 C--N 1.321 -0.253 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.057 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.37 159.68 18.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.321 -0.942 . . . . 0.0 113.215 165.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.2 mt -74.04 -2.81 25.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.419 0.688 . . . . 0.0 112.329 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.99 -38.39 36.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.411 HG23 ' SG ' ' A' ' 50' ' ' CYS . 8.9 t -82.31 -3.21 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 36.7 m -97.72 60.8 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.273 0.558 . . . . 0.0 110.953 -174.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.96 143.15 42.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.987 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.32 118.54 11.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.235 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.84 16.62 47.58 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.411 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.8 t -135.1 147.05 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 54.55 38.5 29.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.12 -10.41 53.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.764 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 67.1 mt -71.67 131.55 86.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 45.7 Cg_exo -57.64 169.39 2.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.995 2.463 . . . . 0.0 112.866 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 p -91.47 152.01 43.18 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.302 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -49.03 124.81 12.07 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.804 2.336 . . . . 0.0 111.646 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.9 t -143.31 171.35 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.973 -172.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.0 p -138.04 144.71 41.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.112 0.482 . . . . 0.0 110.837 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 p -88.54 177.89 6.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -53.37 -41.81 66.23 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -171.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.4 25.06 10.07 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.133 -0.354 . . . . 0.0 111.799 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 93.3 t -116.88 131.82 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 109.947 174.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 m -82.65 -52.28 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.741 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.46 140.15 9.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.86 -0.155 . . . . 0.0 110.87 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.1 mtp -141.3 140.83 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.087 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 55.3 m -130.92 136.91 49.02 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.98 118.65 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.28 109.67 6.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.114 0.483 . . . . 0.0 110.117 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 49.6 48.62 21.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.039 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.81 -24.38 3.87 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.468 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.16 130.69 35.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.6 m -127.91 120.12 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.551 0.691 . . . . 0.0 110.364 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.1 t -104.26 130.93 52.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.743 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 135.06 54.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.686 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 m -121.08 139.0 53.92 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.912 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.66 46.51 30.57 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.861 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.484 HE21 ' HG2' ' A' ' 92' ' ' GLU . 32.1 tp60 -76.83 125.2 28.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.688 0.244 . . . . 0.0 110.903 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.484 ' HG2' HE21 ' A' ' 91' ' ' GLN . 17.5 mm-40 50.47 -125.11 2.22 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.532 0.333 . . . . 0.0 111.473 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -71.01 -13.81 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.385 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.422 ' HA ' HD11 ' A' ' 126' ' ' LEU . 53.5 mt -85.08 38.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.483 -172.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -53.38 132.38 39.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.653 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.67 -21.53 22.01 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.635 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.4 tt -86.28 130.94 34.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.2 m -113.43 120.96 42.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.7 t -92.47 129.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.35 105.07 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.46 ' HG2' ' CE2' ' A' ' 40' ' ' PHE . 40.1 tpp -94.72 110.84 22.64 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 35.6 m -112.02 96.06 32.42 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.947 0.403 . . . . 0.0 110.957 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 101' ' ' MET . 16.5 Cg_exo -67.55 160.69 46.84 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.952 2.435 . . . . 0.0 112.098 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.84 22.44 49.62 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.898 175.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 140' ' ' ASN . 38.8 t-105 -114.65 99.27 7.4 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.413 0.625 . . . . 0.0 110.247 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -147.05 130.81 16.99 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.777 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.438 ' N ' HD21 ' A' ' 107' ' ' ASN . 0.9 OUTLIER -69.45 -28.31 66.0 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.913 -172.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.77 -58.11 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -111.85 -30.04 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.76 -66.38 0.24 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.179 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -73.72 169.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 122.944 -0.15 . . . . 0.0 110.603 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m 58.13 55.34 5.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.779 0.799 . . . . 0.0 110.142 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -165.09 132.35 2.65 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.551 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 17.7 m-90 -121.01 123.22 41.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.226 0.513 . . . . 0.0 111.663 -175.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.26 113.63 24.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 136' ' ' PHE . 80.8 mtm180 -109.95 131.42 55.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.571 -174.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -144.49 132.61 21.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.84 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.2 m -104.96 116.44 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.922 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -105.36 103.83 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.476 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.9 tp -136.26 105.33 4.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.644 174.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -74.09 -40.65 62.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.4 t -108.82 15.42 23.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -170.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.476 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 9.8 m-20 -147.95 82.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.114 -0.366 . . . . 0.0 111.472 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.63 -31.47 70.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.119 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.45 96.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 0.0 111.17 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.422 HD11 ' HA ' ' A' ' 94' ' ' LEU . 90.1 mt -67.81 -32.45 73.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.14 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 9.9 tt0 -65.32 -45.2 85.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.315 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -52.78 -41.22 63.9 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.234 0.334 . . . . 0.0 111.806 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.75 -46.97 33.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.084 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.35 -52.27 54.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 3.7 pt-20 -65.12 -23.65 67.2 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.862 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.83 -43.08 76.28 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.778 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -83.33 -47.21 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.442 0.639 . . . . 0.0 111.172 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -87.01 26.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.875 0.87 . . . . 0.0 110.99 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 18.4 ptp180 -49.93 141.92 9.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.028 0.918 . . . . 0.0 113.256 -169.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.486 ' HB3' ' O ' ' A' ' 116' ' ' ARG . 0.5 OUTLIER -95.05 111.71 23.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.49 -178.199 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.11 150.44 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.727 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -69.68 -9.25 53.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.141 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.81 36.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.44 . . . . 0.0 110.209 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.565 ' HA ' ' NE1' ' A' ' 105' ' ' TRP . 57.3 m-20 -86.98 -17.3 33.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.884 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.27 -174.95 3.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.978 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.26 130.82 22.3 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.176 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.22 133.35 43.21 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.243 1.962 . . . . 0.0 111.541 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -121.48 132.29 54.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.162 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 77.17 91.53 0.26 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.893 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 m -68.7 121.01 15.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.743 0.306 . . . . 0.0 110.429 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.18 -32.24 6.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.286 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 81.5 mt -94.95 89.15 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.278 0.561 . . . . 0.0 110.352 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -97.8 -31.28 12.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.481 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -99.55 126.53 45.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.394 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -81.72 105.54 12.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.118 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -138.8 -61.18 0.58 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.059 0.457 . . . . 0.0 109.97 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -97.32 62.99 1.79 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 34.2 m170 66.79 -162.33 0.24 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.246 -176.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.763 -0.636 . . . . 0.0 109.577 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.513 0.197 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 49.87 72.75 0.3 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.09 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -79.45 74.05 6.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.626 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -66.02 -36.08 82.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.93 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.38 -40.74 81.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.052 0.453 . . . . 0.0 109.785 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.3 ttm180 -66.58 -38.83 87.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.925 174.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -56.97 -49.34 76.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.578 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.73 -38.52 75.46 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.559 0.219 . . . . 0.0 111.56 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.77 86.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 73.5 mt -68.28 -38.97 82.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.088 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 34.5 m -65.25 -38.76 91.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.67 -39.53 84.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.7 tpt -61.52 -41.91 98.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.3 tm? -62.63 -47.24 84.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.594 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.1 mm-40 -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.518 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.6 m -75.42 -28.45 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.35 0.595 . . . . 0.0 110.7 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 9.3 t80 -71.1 -34.89 71.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.232 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.496 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.6 t -53.72 -48.61 92.77 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.518 ' HD2' ' O ' ' A' ' 39' ' ' THR . 64.9 Cg_exo -53.33 -28.97 45.65 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.319 2.013 . . . . 0.0 113.087 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -75.69 -39.8 56.88 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.594 0.711 . . . . 0.0 109.147 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.57 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 18.4 mmm180 -60.28 -40.87 91.95 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.873 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.483 ' O ' HD22 ' A' ' 49' ' ' LEU . 26.1 m -51.64 -42.18 61.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.73 92.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.594 0.711 . . . . 0.0 110.295 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.76 -40.05 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 70.1 mm-40 -66.61 -34.75 78.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.944 0.402 . . . . 0.0 110.28 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 45' ' ' THR . 2.9 mm? -66.18 -45.37 81.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.808 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 p -70.0 -36.13 74.9 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.729 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.79 65.19 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.483 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.19 -31.42 38.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.37 -33.99 76.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.983 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -108.97 -12.95 14.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.4 0.619 . . . . 0.0 110.317 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.24 -19.42 5.6 Favored Glycine 0 CA--C 1.52 0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.828 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.26 151.5 17.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.215 162.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.75 -2.19 22.34 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 111.598 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 20.2 t70 -48.1 -35.26 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -76.22 -10.6 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -93.38 69.25 4.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.375 0.607 . . . . 0.0 110.846 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.27 131.3 46.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.398 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.69 88.18 0.36 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.372 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.67 -1.61 4.37 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.468 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -140.65 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.901 0.351 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 54.67 39.3 31.18 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.89 20.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.73 121.45 81.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -77.03 149.48 28.75 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.051 1.834 . . . . 0.0 112.265 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -45.55 136.95 5.62 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' ' 80' ' ' SER . 9.1 Cg_endo -50.17 123.7 11.5 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.264 2.643 . . . . 0.0 112.515 -172.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -95.04 128.58 41.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.305 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 p -103.28 127.08 50.71 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.219 177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.554 ' OG1' HG22 ' A' ' 76' ' ' VAL . 28.4 p -80.14 177.44 8.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.301 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.508 ' H ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -53.84 -35.14 61.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -95.71 -14.92 23.0 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.554 HG22 ' OG1' ' A' ' 73' ' ' THR . 88.7 t -81.46 122.92 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.475 0.655 . . . . 0.0 110.219 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -86.32 -43.35 12.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.299 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -168.94 139.69 2.39 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.221 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.4 ptm -165.9 140.59 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.827 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.522 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 37.2 m -131.14 149.79 52.43 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.03 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.4 109.28 10.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.034 0.445 . . . . 0.0 109.959 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 72.5 mmtt 51.37 43.11 29.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.852 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.13 -24.2 4.85 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.421 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.79 137.17 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 80' ' ' SER . 59.5 t -134.12 115.15 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.979 0.418 . . . . 0.0 110.204 -173.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 13.9 m -103.0 122.55 44.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.754 176.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mp -115.54 119.4 36.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.175 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.0 m -114.82 143.7 44.68 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.915 0.388 . . . . 0.0 111.881 -172.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.5 44.39 36.81 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 114.982 -1.008 . . . . 0.0 114.111 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -86.5 127.44 34.87 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 60.74 -139.4 0.57 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.4 m -65.9 -13.15 59.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.872 0.367 . . . . 0.0 111.474 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.6 mt -82.11 39.1 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.164 -171.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -55.36 135.89 49.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.33 -15.65 33.36 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.716 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -91.33 137.3 32.47 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -123.63 121.24 35.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.843 0.354 . . . . 0.0 110.094 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 50.4 t -91.34 130.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.45 103.62 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.601 ' HE2' ' CD1' ' A' ' 114' ' ' TRP . 17.2 ttt -96.02 110.38 22.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.283 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.0 m -107.53 94.2 11.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.294 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 114' ' ' TRP . 81.8 Cg_endo -77.88 162.41 29.49 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.402 2.735 . . . . 0.0 113.514 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.3 -174.86 16.09 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.217 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 49.3 p-90 -119.78 129.72 54.6 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -147.44 115.94 6.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.997 0.427 . . . . 0.0 110.633 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.66 -32.8 72.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.663 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.77 -47.3 31.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -85.35 -15.06 44.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.293 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.45 35.21 26.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.193 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.48 134.72 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.664 0.269 . . . . 0.0 110.318 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.0 m -141.04 87.74 2.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.303 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.04 -85.3 0.62 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.068 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.601 ' CD1' ' HE2' ' A' ' 101' ' ' MET . 19.8 m-90 -142.35 122.07 13.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.29 112.8 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 136' ' ' PHE . 87.0 mtm180 -110.42 131.92 54.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.977 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 16.7 t-20 -142.03 134.05 27.45 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.655 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 85.0 m -102.79 116.08 31.87 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -107.24 104.4 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.883 0.373 . . . . 0.0 110.503 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 6.1 tp -136.17 102.08 2.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.356 0.598 . . . . 0.0 109.583 174.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -73.55 -38.37 65.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -167.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.9 p -99.99 -2.98 33.13 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -171.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.484 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.4 m-20 -139.84 83.53 1.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.737 -171.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 m -60.6 -28.42 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.37 85.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.3 mt -70.36 -35.65 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.161 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.26 -43.12 99.55 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.814 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.87 -50.39 63.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 0.0 110.386 -176.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.52 -40.32 70.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.348 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.72 -47.46 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.756 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.85 -25.47 65.06 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.484 0.714 . . . . 0.0 110.884 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -69.21 -50.84 43.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.008 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.7 -47.93 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.46 0.648 . . . . 0.0 111.586 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.429 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.6 m-85 -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 110.856 -176.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.1 ptt-85 -48.45 150.4 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.864 -1.062 . . . . 0.0 113.285 -173.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.423 ' HB2' HD21 ' A' ' 141' ' ' LEU . 0.9 OUTLIER -91.46 110.45 21.76 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.429 171.198 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.11 142.97 54.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.843 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.58 -20.93 61.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.094 -172.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -74.35 -17.65 60.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.26 0.553 . . . . 0.0 110.488 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -108.58 15.32 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.592 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 136' ' ' PHE . 41.4 mt -110.02 -179.6 3.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.179 -177.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.1 t -105.26 119.15 53.94 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.943 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.93 133.05 29.97 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.147 1.898 . . . . 0.0 112.332 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -96.05 109.04 21.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.87 88.11 1.93 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -174.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 26.9 m -108.77 161.43 15.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.45 27.49 54.75 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.188 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.3 mt -101.63 91.41 4.42 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.18 -20.03 35.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.102 0.477 . . . . 0.0 109.927 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -78.66 73.87 5.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -80.98 141.26 34.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.008 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -93.57 60.63 3.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.18 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -95.78 -5.35 42.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.133 0.492 . . . . 0.0 109.804 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 64.04 41.51 6.38 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.692 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 . . . . . 0 C--O 1.244 0.799 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.701 179.037 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.548 0.213 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.24 78.16 8.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.038 0.447 . . . . 0.0 110.215 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.1 m120 -136.52 32.69 2.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.078 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.17 -38.51 83.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.592 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.32 -46.37 90.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.186 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.4 ttp180 -67.85 -36.3 80.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.773 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 95.3 mttt -59.73 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.29 -37.66 72.76 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.42 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.43 0.633 . . . . 0.0 109.708 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 59.6 mt -68.73 -31.95 71.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.888 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 76.5 m -65.11 -42.61 93.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.38 -36.52 84.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.0 0.428 . . . . 0.0 110.395 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.43 ' SD ' HG22 ' A' ' 76' ' ' VAL . 14.1 tpt -65.79 -41.86 91.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.051 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -42.87 95.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 34' ' ' THR . 33.2 mm-40 -61.29 -34.28 74.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.611 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.2 m -74.97 -29.55 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.194 0.521 . . . . 0.0 110.669 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 26.2 t80 -70.32 -33.7 71.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.597 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.1 t -45.95 -52.63 25.19 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.611 ' HD2' ' O ' ' A' ' 39' ' ' THR . 42.7 Cg_exo -56.79 -42.9 59.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.773 1.649 . . . . 0.0 112.342 176.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' O ' HG21 ' A' ' 47' ' ' VAL . 58.3 m-85 -58.63 -36.62 74.36 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -55.75 -51.29 67.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.469 ' O ' HD21 ' A' ' 49' ' ' LEU . 33.2 m -52.29 -43.57 64.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.33 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.96 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.077 0.465 . . . . 0.0 110.58 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 43' ' ' TYR . 70.6 t -64.58 -39.48 85.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.462 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.38 -38.13 84.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.006 0.432 . . . . 0.0 110.205 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -67.11 -45.68 76.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.502 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 27.6 p -72.06 -23.54 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.45 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.74 63.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.45 -27.61 62.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.54 -46.68 88.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -108.83 -12.65 14.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.437 0.637 . . . . 0.0 110.647 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.22 -20.07 3.36 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.193 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.09 145.24 18.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.262 -0.97 . . . . 0.0 112.818 163.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 36.0 mt -73.84 -3.07 26.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.796 0.438 . . . . 0.0 111.567 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 7.8 m-20 -48.53 -35.0 12.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.234 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.58 1.23 55.64 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.3 t -97.06 70.11 2.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.458 0.647 . . . . 0.0 109.481 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' OD1' ' HA ' ' A' ' 82' ' ' ALA . 17.7 t70 -114.01 147.29 38.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.077 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.82 103.55 0.72 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.077 -0.511 . . . . 0.0 113.082 -175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.08 17.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.07 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 p -143.14 161.13 39.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.025 0.413 . . . . 0.0 110.402 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 53.55 33.0 15.3 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.75 5.24 86.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.873 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.14 126.18 70.56 Favored Pre-proline 0 N--CA 1.449 -0.475 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.38 163.34 12.72 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.643 2.229 . . . . 0.0 112.937 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -87.26 128.99 53.24 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.053 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.05 125.7 19.63 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.123 2.548 . . . . 0.0 112.113 -175.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -143.19 -177.67 5.47 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.037 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.5 p -131.22 125.93 34.22 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.207 0.527 . . . . 0.0 111.282 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -81.17 178.37 8.44 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 171.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -52.97 -43.51 66.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -171.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -102.06 27.83 6.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 HG22 ' SD ' ' A' ' 36' ' ' MET . 91.1 t -115.69 129.91 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 m -88.08 -44.8 10.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.17 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.05 149.81 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.4 ptp -163.3 143.24 8.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.706 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 m -135.77 134.66 39.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.809 174.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -103.25 116.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . . . -132.85 110.59 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 30.0 mmtp 52.91 44.44 30.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.83 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.44 -24.7 3.53 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.089 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 56.0 t -66.45 142.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.67 109.5 17.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -104.86 127.76 52.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.026 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.84 148.97 37.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.116 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.4 m -123.65 128.78 50.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.979 0.419 . . . . 0.0 111.434 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 51.24 48.06 48.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.011 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.408 HE21 ' HG2' ' A' ' 92' ' ' GLU . 29.6 tp60 -72.58 126.16 29.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.695 0.283 . . . . 0.0 110.621 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HG2' HE21 ' A' ' 91' ' ' GLN . 19.6 mm-40 55.76 -138.39 1.04 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -64.48 -13.92 54.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.413 . . . . 0.0 111.405 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.0 mt -83.29 38.88 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 110.502 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -54.75 137.45 44.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.194 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.91 -25.49 9.79 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.817 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 51.1 tp -75.04 125.7 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.897 0.38 . . . . 0.0 111.127 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t -101.33 111.96 24.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.629 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.513 HG21 ' SG ' ' A' ' 118' ' ' CYS . 31.9 t -99.11 122.46 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.5 t -114.74 102.55 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.956 0.407 . . . . 0.0 110.209 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.491 ' HG2' ' CZ ' ' A' ' 40' ' ' PHE . 57.2 tpp -86.03 110.53 19.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 m -112.9 98.78 46.43 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.374 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.46 129.16 15.4 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.292 1.995 . . . . 0.0 110.784 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.41 156.26 6.65 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.132 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -154.44 -62.59 0.13 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.493 0.663 . . . . 0.0 109.417 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.88 123.07 15.7 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -56.21 -36.86 68.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.003 -171.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.07 -50.21 7.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -80.88 -26.32 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -172.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -111.91 124.19 6.69 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.602 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -140.33 25.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.344 1.068 . . . . 0.0 108.864 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.8 t -90.8 -10.47 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.771 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.7 -94.69 2.0 Allowed Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.574 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -102.84 129.17 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 111.614 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.75 133.39 44.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.397 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 3.2 mpt_? -109.88 139.16 45.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 -176.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -144.38 112.96 6.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.479 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.513 ' SG ' HG21 ' A' ' 99' ' ' VAL . 3.7 m -103.94 116.58 32.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.3 102.89 12.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.5 tp -138.08 100.67 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.326 0.584 . . . . 0.0 109.643 173.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.6 65.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -169.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.7 p -87.89 -23.08 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.76 84.25 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.7 0.286 . . . . 0.0 111.701 -170.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.554 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 64.9 m -60.66 -22.59 64.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.92 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.68 75.8 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.9 mt -68.6 -38.17 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -65.01 -38.68 91.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 124' ' ' SER . 87.2 mm-40 -55.22 -44.08 75.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.28 73.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 1.7 t -62.86 -44.86 95.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.435 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 25.9 tt0 -55.75 -27.79 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.524 -178.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.98 -55.57 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.583 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.43 -49.49 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.645 0.736 . . . . 0.0 111.698 -175.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.448 ' HB2' ' SG ' ' A' ' 130' ' ' CYS . 87.4 m-85 -87.13 24.7 1.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.251 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.435 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 23.5 ptt180 -48.89 139.64 9.82 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.985 -173.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.98 119.6 38.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.435 -176.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.51 128.89 38.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.516 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -60.07 -18.78 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.364 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.22 -21.19 66.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.063 0.459 . . . . 0.0 111.113 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -89.1 -19.03 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.362 0.601 . . . . 0.0 110.097 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 59.0 mt -112.26 93.4 4.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.873 -174.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.46 124.02 81.1 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.42 133.7 21.28 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.386 2.057 . . . . 0.0 111.889 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -116.31 100.26 7.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 99.68 179.38 30.75 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.75 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.3 p -102.1 121.33 41.99 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.725 0.297 . . . . 0.0 111.186 -176.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 89.51 -5.95 83.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.85 -0.69 . . . . 0.0 113.311 174.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.95 90.12 8.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.233 0.54 . . . . 0.0 110.695 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.13 -33.35 20.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.662 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -64.29 102.28 0.51 Allowed 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.118 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -84.2 125.21 31.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.403 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -85.8 123.71 31.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.756 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -55.94 115.5 2.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -87.74 144.26 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.343 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.4 m80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.463 -0.78 . . . . 0.0 109.82 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.2 ptm . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.96 0.409 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -118.24 110.31 17.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.27 -0.269 . . . . 0.0 110.376 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 90.4 m-20 59.49 35.41 22.81 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -58.44 -49.13 78.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.918 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.33 -37.6 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.8 ttm180 -67.56 -34.0 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.677 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 31.2 mmtp -55.28 -50.31 69.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.204 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.81 95.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.349 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -59.73 -45.23 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.219 0.533 . . . . 0.0 110.552 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 78.1 mt -65.74 -34.0 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.9 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -67.71 -36.99 81.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.264 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -67.4 -39.77 85.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.115 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.89 -40.75 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 41' ' ' VAL . 28.7 tp -63.47 -45.3 91.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.398 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.33 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.61 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 40.5 m -75.35 -31.08 60.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 110.485 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.531 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 45.9 t80 -71.12 -34.33 70.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.865 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.4 t -46.24 -52.84 25.99 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.61 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.9 Cg_exo -58.61 -30.24 91.5 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.889 1.726 . . . . 0.0 112.936 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -75.15 -26.06 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.687 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.6 mtm180 -59.65 -35.87 75.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.347 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.475 ' O ' HD23 ' A' ' 49' ' ' LEU . 14.5 m -51.01 -36.99 42.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.794 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.52 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.675 0.75 . . . . 0.0 110.312 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.08 -42.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.333 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 45.0 mm-40 -65.03 -41.65 95.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.788 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -61.14 -40.02 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.637 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.23 -49.03 77.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.529 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -62.16 -20.48 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.001 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 85.4 mt -82.85 -50.28 8.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.238 . . . . 0.0 111.486 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.27 -36.61 63.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.27 -171.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -103.0 -12.98 17.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.405 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.0 -21.07 0.2 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.99 -1.005 . . . . 0.0 114.376 177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.02 144.54 16.17 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 119.442 -1.361 . . . . 0.0 113.162 164.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.701 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 4.1 mt -75.06 -5.25 43.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -57.45 -32.19 66.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.147 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.7 p -83.91 -7.97 59.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.209 0.528 . . . . 0.0 111.419 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.701 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 56.1 m -86.61 67.28 9.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.334 0.588 . . . . 0.0 110.967 -172.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -109.43 140.45 43.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.5 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.15 118.22 12.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.969 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.64 4.2 43.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.716 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.4 p -145.36 168.11 21.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.98 0.39 . . . . 0.0 110.947 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 54.66 37.02 27.45 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.881 0.472 . . . . 0.0 112.157 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.19 -8.12 72.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.936 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mt -85.6 131.09 48.67 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.84 168.07 4.73 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.848 2.365 . . . . 0.0 112.477 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -73.61 139.57 77.84 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.025 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.58 123.32 12.5 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.096 1.864 . . . . 0.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p -145.35 -177.47 5.57 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.069 -175.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 23.4 p -131.38 127.16 36.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.0 p -71.7 177.34 4.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.334 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -54.51 -43.28 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.45 -17.1 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.459 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 55.2 t -81.67 131.2 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.091 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -40.32 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.015 -172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.35 143.94 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.203 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' O ' ' A' ' 87' ' ' SER . 10.4 ptp -164.55 140.37 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.131 0.491 . . . . 0.0 110.422 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.562 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 20.3 m -131.37 141.76 49.94 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.395 177.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.13 119.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.73 109.37 7.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp 53.93 39.72 30.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.906 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.15 -24.44 5.41 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.067 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 101' ' ' MET . 40.3 t -70.79 132.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.3 m -129.04 122.78 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.46 0.647 . . . . 0.0 110.6 -175.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.2 m -103.78 125.06 49.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.057 176.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.68 116.91 28.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.299 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.2 m -106.75 144.06 33.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.881 0.372 . . . . 0.0 111.352 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 50.13 46.05 42.8 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.008 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.459 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 27.7 tp60 -83.81 126.0 32.51 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HB3' ' H ' ' A' ' 93' ' ' SER . 19.2 mm-40 57.48 -143.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.89 -0.141 . . . . 0.0 110.734 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.482 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 17.8 t -63.15 -13.04 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.398 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 91' ' ' GLN . 60.0 mt -79.98 38.42 0.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.022 0.439 . . . . 0.0 110.925 -174.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.411 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 58.0 t30 -52.59 132.65 35.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.576 175.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.27 -22.25 20.53 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.354 -0.45 . . . . 0.0 112.504 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.0 tt -86.28 133.5 33.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.851 0.357 . . . . 0.0 110.236 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m -112.32 118.81 36.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.09 126.62 42.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.57 114.03 42.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.531 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 52.7 ttp -99.77 114.89 28.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.638 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 m -108.74 93.1 11.48 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.542 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.69 129.99 22.36 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.873 1.715 . . . . 0.0 111.239 172.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.453 ' C ' ' H ' ' A' ' 106' ' ' ASP . . . 94.81 176.17 38.24 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -177.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.426 ' HB3' ' O ' ' A' ' 104' ' ' GLY . 39.3 t90 71.82 -40.68 0.48 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 122.953 0.501 . . . . 0.0 110.512 -175.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 104' ' ' GLY . 7.0 p-10 -73.49 -12.18 60.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.486 0.66 . . . . 0.0 109.559 174.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -57.91 -41.14 82.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.672 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -7.16 48.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' A' ' 109' ' ' ASN . 9.3 m120 -108.9 15.73 23.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.104 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.47 3.15 52.86 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 114.51 0.564 . . . . 0.0 114.51 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.9 m -111.54 21.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 117.322 0.561 . . . . 0.0 110.437 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.2 m -27.94 108.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 124.915 1.384 . . . . 0.0 114.244 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.43 -101.81 0.17 Allowed Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.128 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -129.35 124.28 33.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.457 ' HB3' ' OD1' ' A' ' 140' ' ' ASN . . . -89.97 135.71 33.48 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 134' ' ' PHE . 29.6 mmt180 -114.0 141.19 47.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.006 0.432 . . . . 0.0 111.931 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -145.69 137.84 25.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.462 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.7 m -114.92 115.04 26.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -109.52 103.37 12.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.533 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 127' ' ' GLN . 5.6 tp -138.08 96.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.221 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -75.17 -26.77 59.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -166.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.5 p -100.33 -10.45 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.407 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.8 m-20 -138.19 85.44 2.1 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.135 -0.353 . . . . 0.0 111.628 -170.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.6 m -61.05 -26.74 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.22 93.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.003 0.43 . . . . 0.0 111.031 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.59 -37.13 79.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.139 0.495 . . . . 0.0 109.79 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.457 ' HB2' ' CG2' ' A' ' 120' ' ' ILE . 34.8 tt0 -62.06 -42.77 99.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.129 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -54.34 -41.73 69.41 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.676 0.61 . . . . 0.0 111.209 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.41 43.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.56 -46.05 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.77 -22.39 64.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.79 -53.32 28.06 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.153 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.17 -48.17 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.342 0.592 . . . . 0.0 111.134 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.454 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 97.6 m-85 -89.25 26.35 1.66 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.781 -176.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -46.67 136.34 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.127 -172.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -81.41 130.53 35.08 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.801 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.08 157.83 32.47 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.89 -14.53 15.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.704 0.288 . . . . 0.0 111.182 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.11 82.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.814 174.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 115' ' ' ALA . 5.1 m-20 -93.84 12.51 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.8 mt -119.29 161.07 21.04 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.732 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.0 p -101.53 128.75 28.3 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.63 132.44 50.33 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.97 1.78 . . . . 0.0 110.701 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -116.55 114.35 24.03 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -62.72 157.23 38.62 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.544 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 148' ' ' LEU . 3.1 p -88.15 115.76 25.86 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.381 -0.527 . . . . 0.0 109.878 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.6 -35.91 1.39 Allowed Glycine 0 CA--C 1.521 0.419 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.373 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 146' ' ' SER . 82.5 mt -105.25 90.37 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.308 0.243 . . . . 0.0 110.772 175.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -109.21 -47.77 3.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.101 0.477 . . . . 0.0 110.168 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -114.83 100.26 8.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.583 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -87.26 131.58 34.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.091 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -120.94 -56.69 1.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.446 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -149.75 147.02 27.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.575 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 70.65 96.43 0.07 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.806 0.691 . . . . 0.0 110.737 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.592 176.833 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.99 0.424 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.34 65.03 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.723 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 91.1 m-20 -123.0 15.8 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.341 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -59.5 -49.73 76.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.897 -172.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.16 -38.65 78.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' HD3' ' HB2' ' A' ' 93' ' ' SER . 20.1 ttp180 -65.85 -32.74 74.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.547 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 67.8 mttm -58.02 -49.49 76.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.406 176.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.9 85.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.92 98.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.301 0.572 . . . . 0.0 110.028 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.55 -40.46 80.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.289 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 59.4 m -63.83 -41.05 97.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.577 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.15 -36.08 77.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.521 ' SD ' HG23 ' A' ' 76' ' ' VAL . 11.2 tpt -64.14 -43.0 96.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.986 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.28 -38.36 83.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 0.0 110.103 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 32.7 mm-40 -68.15 -29.92 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.79 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.636 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.7 m -75.27 -29.81 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 110.266 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 24.1 t80 -66.79 -33.71 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.691 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.563 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 76.3 t -47.61 -54.37 23.33 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.636 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.5 Cg_exo -55.77 -30.25 75.37 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.128 1.886 . . . . 0.0 113.078 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -74.64 -33.16 62.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.313 0.578 . . . . 0.0 109.634 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.58 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.4 mtm180 -59.76 -39.38 84.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.518 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.455 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 24.8 m -53.73 -38.48 64.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.392 0.433 . . . . 0.0 111.457 176.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.12 78.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.433 0.635 . . . . 0.0 109.989 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.626 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 92.5 t -62.1 -39.24 83.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.788 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 5.8 mm-40 -58.12 -40.72 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 109.827 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 45' ' ' THR . 86.2 mt -65.0 -45.99 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.059 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 19.9 p -77.7 -24.78 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.221 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.93 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 110.773 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -79.74 -15.58 57.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.023 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.71 -44.74 96.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.488 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -109.38 -13.47 14.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.198 0.523 . . . . 0.0 110.434 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.33 -20.11 11.73 Favored Glycine 0 CA--C 1.516 0.155 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.22 161.27 12.78 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.103 -0.549 . . . . 0.0 111.747 160.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -73.44 -3.79 29.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.509 0.324 . . . . 0.0 111.867 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 24.1 t70 -50.05 -36.17 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.7 p -88.49 15.22 8.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 32.4 t -116.07 74.61 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.306 0.574 . . . . 0.0 111.386 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' HB2' ' OG ' ' A' ' 64' ' ' SER . 13.7 m-20 -121.42 137.32 54.76 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.86 109.19 2.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.16 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.65 3.02 28.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.882 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.433 ' OG ' ' HB2' ' A' ' 61' ' ' ASP . 88.7 p -127.35 158.71 36.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 53.84 30.08 10.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.76 9.61 70.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.851 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 76.9 mt -77.29 131.03 73.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.18 169.95 2.56 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.899 2.399 . . . . 0.0 112.616 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -91.72 138.66 24.94 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.45 123.76 14.41 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.413 2.075 . . . . 0.0 111.558 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 t -112.59 170.22 8.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.588 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 67.2 p -131.88 125.51 31.92 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.699 0.285 . . . . 0.0 110.251 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 p -78.96 178.08 8.28 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -53.42 -44.09 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.3 -5.42 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.521 HG23 ' SD ' ' A' ' 36' ' ' MET . 58.5 t -95.13 119.73 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 m -78.56 -47.76 16.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.697 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.88 152.71 6.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.522 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 ptm -172.47 141.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.667 0.605 . . . . 0.0 110.433 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 m -131.14 138.68 49.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.103 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.2 t -97.19 114.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.704 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.446 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -131.47 110.21 10.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.087 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.483 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 73.6 mmtt 49.85 46.75 23.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.167 -175.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.25 -24.91 1.65 Allowed Glycine 0 N--CA 1.465 0.59 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.064 -178.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.446 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 54.3 t -66.44 141.03 18.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 80' ' ' SER . 30.3 m -129.88 118.94 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.496 0.665 . . . . 0.0 109.609 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.4 m -101.37 123.77 45.98 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.82 148.79 35.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.302 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.2 m -131.61 128.19 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.42 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 55.48 46.65 80.21 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.052 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.456 HE22 HG11 ' A' ' 76' ' ' VAL . 6.3 tp-100 -70.27 125.81 27.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.4 0.143 . . . . 0.0 110.627 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 50.07 -122.42 1.83 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.414 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.408 ' HB2' ' HD3' ' A' ' 29' ' ' ARG . 6.9 m -74.76 -12.79 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.735 0.414 . . . . 0.0 111.689 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.458 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 75.8 mt -83.05 39.87 0.67 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.038 -171.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -56.02 136.26 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.3 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.16 -12.91 52.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.551 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 8.4 tt -99.6 131.09 45.83 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -110.95 128.4 55.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.963 0.411 . . . . 0.0 109.962 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.38 128.81 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.574 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.34 102.93 14.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.573 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 43.6 tpp -93.94 111.89 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.198 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.426 HG22 HG21 ' A' ' 85' ' ' VAL . 87.3 m -112.96 99.23 47.97 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.05 134.48 62.43 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.46 2.106 . . . . 0.0 111.298 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.06 106.31 2.96 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -76.51 149.85 36.68 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -146.28 138.11 24.9 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -69.28 -43.56 73.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.65 -34.12 21.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.045 0.45 . . . . 0.0 111.823 -175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -103.82 -4.05 24.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.026 -172.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.66 -62.7 2.75 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.571 -0.824 . . . . 0.0 111.594 -173.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.0 p -141.99 130.58 22.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.2 t -92.82 -15.03 26.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.29 -156.52 24.02 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.2 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.473 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 26.8 m-90 -126.19 123.89 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.261 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.65 121.83 32.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.825 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.573 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 1.2 mpt_? -109.13 150.29 28.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.04 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -145.43 118.32 8.75 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 79.1 m -102.65 116.37 32.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 32.6 m-80 -110.59 103.16 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.028 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 120' ' ' ILE . 6.0 tp -137.0 96.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.381 0.61 . . . . 0.0 109.747 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -73.17 -36.37 66.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.2 m -99.44 15.48 26.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.519 ' OD2' ' HG ' ' A' ' 126' ' ' LEU . 18.0 t70 -161.8 99.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.366 -0.533 . . . . 0.0 111.669 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 15.6 m -61.79 -26.96 68.42 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.056 178.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.77 80.85 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.519 ' HG ' ' OD2' ' A' ' 123' ' ' ASP . 85.0 mt -60.17 -36.48 77.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.273 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -67.59 -41.35 84.23 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 124' ' ' SER . 17.4 mm100 -53.91 -43.41 69.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.672 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -47.57 34.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.258 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.91 -50.19 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.416 ' HG3' ' CE1' ' A' ' 136' ' ' PHE . 30.4 tt0 -62.55 -26.25 68.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.462 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.0 -50.85 37.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.589 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.01 -43.05 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.598 0.713 . . . . 0.0 110.829 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.527 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 96.7 m-85 -86.63 25.05 1.31 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.398 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -49.95 138.91 14.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.428 -173.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 131' ' ' GLU . 5.4 p90 -126.47 125.58 42.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.175 -172.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -82.14 142.57 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.162 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.32 -28.56 59.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.296 -173.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.53 -30.46 27.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.047 0.451 . . . . 0.0 111.494 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -95.82 -27.45 15.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.497 -172.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 141' ' ' LEU . 4.1 pp -64.85 147.56 53.04 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.933 0.397 . . . . 0.0 111.092 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.84 117.45 68.12 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.037 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.28 136.61 56.4 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.539 2.159 . . . . 0.0 112.08 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 144' ' ' ARG . 49.6 mtp180 -129.02 142.96 50.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -163.3 178.43 38.92 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.437 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 p -83.88 120.86 26.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.974 0.416 . . . . 0.0 110.665 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.38 -8.11 69.46 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.183 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 81.1 mt -85.55 89.41 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.13 0.49 . . . . 0.0 110.558 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -77.27 -46.36 23.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -111.09 170.86 7.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.129 -0.942 . . . . 0.0 108.842 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -99.26 157.28 16.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.654 0.264 . . . . 0.0 110.347 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -148.6 75.95 1.33 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.119 0.485 . . . . 0.0 110.132 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -89.32 -18.4 27.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.426 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -114.07 141.7 47.12 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 33.0 t60 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.075 -174.835 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.537 0.208 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.55 77.89 5.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.049 0.452 . . . . 0.0 110.853 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -89.91 67.37 7.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.931 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -61.2 -34.65 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.687 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.01 -44.97 78.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.335 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.5 ttp180 -65.04 -36.44 84.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.268 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.14 -50.45 73.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.63 78.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.0 90.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.301 0.572 . . . . 0.0 110.128 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 64.1 mt -66.68 -34.17 77.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.851 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 82.5 m -61.94 -45.03 95.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.456 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -40.52 97.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.4 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.49 ' SD ' ' HB2' ' A' ' 75' ' ' TYR . 31.5 mmt -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.12 -43.3 98.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.24 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.3 mm-40 -65.87 -31.83 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.615 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 32.2 m -75.61 -27.83 58.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.045 0.45 . . . . 0.0 110.607 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.514 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 27.7 t80 -70.48 -34.02 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 176.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.9 t -47.32 -51.72 40.77 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.7 Cg_exo -56.55 -31.33 86.16 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.076 1.851 . . . . 0.0 112.744 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -74.27 -31.6 62.6 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.333 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.421 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 44.3 mtm180 -60.88 -35.68 77.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.253 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.48 ' O ' HD22 ' A' ' 49' ' ' LEU . 6.0 m -51.54 -46.1 63.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.16 171.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.19 75.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.582 0.706 . . . . 0.0 110.132 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.62 -46.77 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.074 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.74 -37.32 86.07 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.49 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -58.04 -43.46 86.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 109.773 176.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.6 -59.83 3.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.809 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.65 -37.18 67.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.82 -49.64 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.93 -40.59 60.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 111.006 -175.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -89.25 -6.67 56.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.63 27.33 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.473 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.32 140.74 10.83 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 119.666 -1.254 . . . . 0.0 111.549 -173.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.18 -32.68 50.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 117.808 0.804 . . . . 0.0 108.837 163.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.442 ' HA ' ' CD ' ' A' ' 83' ' ' LYS . 4.9 m-20 -59.47 -29.26 67.69 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.647 -1.161 . . . . 0.0 112.017 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.0 p -81.75 -11.12 59.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.107 0.479 . . . . 0.0 111.324 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.75 62.71 5.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.325 0.584 . . . . 0.0 110.908 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -99.02 139.75 34.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.34 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.09 94.43 0.9 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.637 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.99 -0.1 7.7 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.239 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 m -136.04 168.56 19.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 55.05 34.4 22.42 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.25 52.98 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.929 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 57.6 mt -78.42 122.25 84.8 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.7 Cg_exo -68.93 143.56 55.35 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.031 1.821 . . . . 0.0 112.04 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -46.12 128.41 7.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.819 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.97 125.82 20.22 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.231 2.621 . . . . 0.0 112.553 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -95.97 168.18 10.79 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.787 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 29.8 p -126.6 126.29 43.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.023 0.44 . . . . 0.0 110.602 -178.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.3 p -73.42 177.85 4.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.268 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -55.48 -37.18 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.49 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 23.9 m-85 -92.05 -25.59 18.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.599 ' O ' ' HB ' ' A' ' 72' ' ' THR . 91.7 t -83.26 118.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.066 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.3 m -82.61 -37.68 24.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.53 147.82 14.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.835 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.7 ptp -160.61 140.15 10.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.735 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.4 t -136.39 143.88 44.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.017 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG22 HG11 ' A' ' 86' ' ' VAL . 21.7 t -110.61 120.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.858 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.24 111.68 9.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.073 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 58' ' ' ASP . 70.9 mmtt 56.59 39.93 29.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.63 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.18 -23.69 3.18 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.308 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.2 t -69.12 136.75 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG11 HG22 ' A' ' 81' ' ' VAL . 29.1 m -126.62 119.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 O-C-N 121.622 -0.674 . . . . 0.0 110.507 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.8 p -104.5 123.09 46.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.991 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.59 136.22 51.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -116.84 134.05 55.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.283 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.36 47.35 43.61 Favored Glycine 0 C--N 1.333 0.414 0 O-C-N 124.148 0.905 . . . . 0.0 113.756 176.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.6 124.95 26.92 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.76 -140.99 0.86 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.502 0.321 . . . . 0.0 110.245 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.8 m -63.88 -11.87 31.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 HD21 ' A' ' 126' ' ' LEU . 50.8 mt -78.07 39.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.955 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.47 133.13 40.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.851 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.83 -21.9 20.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.683 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.9 tt -82.03 136.35 35.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.0 m -112.51 125.23 54.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.206 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.0 t -101.37 127.58 54.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -124.0 105.7 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.025 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.514 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 48.5 ttm -100.66 118.27 36.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.76 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -111.84 103.5 55.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.906 -174.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 59.5 Cg_endo -72.94 131.19 16.56 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.424 2.082 . . . . 0.0 111.323 171.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 110' ' ' GLY . . . 109.15 -15.41 33.26 Favored Glycine 0 C--N 1.318 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.909 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -80.24 -13.04 59.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.141 0.496 . . . . 0.0 110.046 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -63.04 123.23 18.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.491 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.437 ' N ' HD21 ' A' ' 107' ' ' ASN . 0.9 OUTLIER -69.69 -26.07 64.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.051 -176.099 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.45 -56.02 4.63 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -172.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -107.62 -29.37 9.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.839 0.352 . . . . 0.0 111.445 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.471 ' O ' ' HA2' ' A' ' 104' ' ' GLY . . . 92.73 -113.78 4.5 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.604 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 m -53.07 -37.74 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.1 p -88.46 62.05 6.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.431 0.634 . . . . 0.0 110.725 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . -172.02 127.17 1.37 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.018 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.421 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 26.5 m-90 -100.02 128.3 46.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.698 0.285 . . . . 0.0 111.219 -177.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -97.16 147.61 23.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -122.05 136.19 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.932 0.396 . . . . 0.0 112.03 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -145.24 132.87 20.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.97 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 71.0 m -116.8 118.0 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.137 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -112.28 105.57 13.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.366 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.472 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 7.1 tp -136.91 104.71 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.576 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -75.76 -39.69 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -170.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.3 m -105.72 10.11 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.472 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 10.6 m-20 -143.28 87.84 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.176 -0.327 . . . . 0.0 111.114 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.9 p -61.17 -35.55 77.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.52 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.926 0.394 . . . . 0.0 111.339 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.412 HD21 HD23 ' A' ' 94' ' ' LEU . 79.6 mt -68.91 -34.06 74.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.953 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.519 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 53.2 tt0 -62.43 -46.28 89.25 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -52.64 -42.75 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.684 0.615 . . . . 0.0 111.127 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.33 -45.15 61.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.167 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 29.2 t -68.43 -48.47 64.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.798 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 5.4 pt-20 -61.97 -22.19 65.44 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.273 -177.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.48 -53.03 32.25 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.964 -0.46 . . . . 0.0 110.333 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.2 t -84.44 -44.61 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.462 0.649 . . . . 0.0 111.743 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.477 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.4 m-85 -95.77 26.5 4.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.859 -175.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -46.43 136.42 7.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.86 -169.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -67.7 121.53 16.12 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 114.583 -1.189 . . . . 0.0 108.993 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -79.78 160.49 26.16 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -47.59 -36.59 10.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.729 0.3 . . . . 0.0 111.76 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.32 -24.57 67.31 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.012 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -91.33 -4.81 55.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.784 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.1 mt -94.92 138.98 31.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.953 0.406 . . . . 0.0 110.485 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.82 130.88 43.26 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.44 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.06 132.84 54.41 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.169 1.913 . . . . 0.0 112.019 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -126.51 111.01 13.9 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.8 111.85 3.18 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.039 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 16.1 p -89.43 125.88 35.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.817 0.341 . . . . 0.0 111.179 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 81.38 -33.34 2.51 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.095 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 73.1 mt -93.94 90.64 6.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.781 0.324 . . . . 0.0 110.392 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.98 -46.54 71.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -91.46 111.47 22.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -78.39 116.09 18.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.27 -172.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 68.82 115.03 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 O-C-N 124.215 0.947 . . . . 0.0 110.702 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -92.82 122.39 35.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -89.41 2.16 54.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.235 0.541 . . . . 0.0 110.192 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 34.1 m170 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.221 173.758 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.242 0.544 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.2 pm0 -74.46 112.9 11.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.266 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 86.5 m-20 -127.67 34.29 4.68 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.654 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.12 -33.43 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.037 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.67 -33.03 64.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.8 ttm180 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.716 171.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 43.0 mmtm -60.72 -50.4 73.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.0 80.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.103 0.478 . . . . 0.0 110.109 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.7 mt -62.94 -38.55 91.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.044 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 m -64.79 -37.93 89.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.197 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.37 -38.93 91.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.239 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.68 -41.02 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.001 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.5 tp -62.24 -40.59 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.294 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 34' ' ' THR . 85.5 mm-40 -63.67 -24.68 67.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.006 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.568 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 20.8 m -75.32 -35.41 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.277 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -70.71 -34.18 71.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.78 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.5 t -47.16 -52.94 31.31 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 39' ' ' THR . 36.4 Cg_exo -61.88 -31.13 84.79 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.748 1.632 . . . . 0.0 112.519 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.426 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 m-85 -71.37 -25.78 62.52 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.194 -0.202 . . . . 0.0 111.22 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 49.0 mtm180 -55.69 -47.19 77.21 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.485 ' O ' HD22 ' A' ' 49' ' ' LEU . 45.5 m -52.64 -47.39 67.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.406 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.99 88.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 110.051 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 43' ' ' TYR . 71.5 t -63.65 -45.6 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.838 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 41.6 mt-10 -64.99 -43.29 93.06 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.788 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 45' ' ' THR . 4.5 mm? -66.67 -41.66 87.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.78 -31.87 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.986 0.422 . . . . 0.0 110.196 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.53 68.22 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.464 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.2 tp -81.32 -19.49 42.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.05 -45.76 66.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -175.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -107.96 -11.94 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.37 -20.28 7.41 Favored Glycine 0 N--CA 1.458 0.126 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.382 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.41 149.26 18.38 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 163.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 mt -72.99 -2.4 20.91 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.921 0.489 . . . . 0.0 111.662 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -48.88 -32.06 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 p -92.62 0.1 57.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.086 0.469 . . . . 0.0 111.906 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.39 73.29 2.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.304 0.573 . . . . 0.0 110.662 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.86 156.86 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.19 106.89 1.86 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.685 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.14 8.88 19.22 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.188 -0.53 . . . . 0.0 111.896 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -140.16 154.81 47.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.57 34.81 20.19 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.142 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.63 2.07 84.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.345 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.4 mt -90.47 125.49 59.55 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -57.85 159.17 18.39 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.79 2.327 . . . . 0.0 112.742 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 p -79.06 141.7 58.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.13 123.18 13.21 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.324 2.016 . . . . 0.0 112.017 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -138.14 172.25 13.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.663 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -124.65 126.14 45.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.97 0.414 . . . . 0.0 110.823 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 p -79.41 176.5 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -54.91 -38.77 68.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.5 ' HB3' ' HG2' ' A' ' 92' ' ' GLU . 20.0 m-85 -91.78 -7.45 49.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.0 t -94.31 128.12 45.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 O-C-N 121.974 -0.454 . . . . 0.0 110.443 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -87.78 -39.7 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.078 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.1 146.02 15.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.591 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.488 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.7 ptm -168.07 139.97 2.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.568 0.543 . . . . 0.0 110.0 175.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 35.5 p -136.29 150.19 48.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.705 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.49 116.22 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.24 111.23 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt 54.38 42.84 31.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.945 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.46 -24.28 3.16 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 113.349 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.8 t -71.44 142.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 26.8 m -132.62 117.64 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 0.0 110.518 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 79' ' ' MET . 49.6 m -104.47 125.4 50.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.899 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.79 144.88 42.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.473 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.8 m -132.42 143.27 49.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.494 0.188 . . . . 0.0 110.592 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.73 46.36 47.87 Favored Glycine 0 C--N 1.332 0.349 0 O-C-N 123.945 0.778 . . . . 0.0 113.155 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 125.07 35.01 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.5 ' HG2' ' HB3' ' A' ' 75' ' ' TYR . 17.0 mt-10 51.92 -128.98 2.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.238 0.542 . . . . 0.0 112.02 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 95' ' ' ASN . 10.9 t -71.96 -14.0 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.581 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.3 mt -81.68 39.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.488 0.661 . . . . 0.0 110.098 -175.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 93' ' ' SER . 25.4 t-20 -55.21 129.71 39.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.326 177.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.56 -17.0 46.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.929 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.0 tt -89.91 139.03 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.018 0.437 . . . . 0.0 110.792 -175.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 t -113.83 119.69 38.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.78 128.63 68.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.976 0.417 . . . . 0.0 109.897 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.84 113.44 43.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 49.0 tpp -94.65 110.65 22.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.423 ' HB ' ' HB1' ' A' ' 115' ' ' ALA . 6.2 m -113.5 93.44 27.4 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.986 -176.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.4 131.35 31.59 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.532 2.155 . . . . 0.0 111.714 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.27 -171.63 54.66 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.681 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -172.16 -23.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.334 0.588 . . . . 0.0 109.605 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -139.78 133.93 31.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.408 -0.814 . . . . 0.0 108.94 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -66.19 -26.46 67.41 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.446 0.466 . . . . 0.0 112.086 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.18 -29.38 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.832 0.349 . . . . 0.0 110.505 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -84.03 -4.26 58.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.516 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.31 -122.44 23.29 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.48 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 111' ' ' VAL . 15.0 p -136.61 45.33 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 122.223 1.011 . . . . 0.0 110.71 -173.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 29.7 p -84.82 34.62 0.54 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.502 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.22 158.91 20.34 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.025 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.7 m-90 -127.85 123.16 34.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.423 ' HB1' ' HB ' ' A' ' 102' ' ' THR . . . -92.91 113.72 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.512 . . . . 0.0 109.67 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -109.5 135.04 51.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.816 -174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.23 133.29 42.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.4 m -112.3 116.93 31.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -114.35 102.77 10.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.173 0.511 . . . . 0.0 110.454 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.2 tp -137.53 102.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.491 175.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -169.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.4 p -93.39 -15.43 25.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.07 81.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -169.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.4 m -60.7 -22.99 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.77 -35.63 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 111.101 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.965 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.628 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 33.9 tt0 -66.93 -41.25 87.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 175.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -57.6 -36.44 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.513 174.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.3 28.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.387 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 31.5 p -69.11 -44.46 72.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.916 -175.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.46 -22.9 66.58 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.96 -51.04 69.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.918 0.39 . . . . 0.0 110.141 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.71 -47.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.58 0.705 . . . . 0.0 111.266 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -84.79 25.48 0.92 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.991 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -49.67 142.34 8.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.821 -174.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -134.66 131.6 37.93 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.421 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -72.01 135.54 46.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -90.69 18.14 6.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -84.96 -48.43 9.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.23 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -78.19 -6.05 53.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.721 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.81 129.69 53.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.813 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.9 p -52.47 123.84 30.8 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 120.979 0.419 . . . . 0.0 110.851 174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . 0.459 ' O ' ' HD2' ' A' ' 144' ' ' ARG . 59.4 Cg_endo -72.31 131.99 18.61 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.503 2.135 . . . . 0.0 112.94 -173.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.459 ' HD2' ' O ' ' A' ' 143' ' ' PRO . 30.7 mmm180 -140.79 99.38 3.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.677 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -52.53 116.05 4.91 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.21 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.7 p -93.0 148.96 21.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.786 0.327 . . . . 0.0 110.319 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.71 26.14 6.57 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.941 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.05 89.82 3.95 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -103.35 -9.25 19.61 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.631 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -69.94 102.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -77.9 105.02 8.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.31 -172.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -131.76 19.82 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 171.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -157.98 128.7 6.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.982 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -131.51 123.08 27.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.952 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.858 176.475 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 55.68 57.89 4.93 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.689 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.09 -2.51 2.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.715 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -62.52 -31.56 72.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 110.682 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -79.56 -39.29 32.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 30.0 ttm180 -59.31 -43.58 92.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.74 172.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -62.11 -47.01 86.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.154 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.11 -38.22 79.04 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.912 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.57 98.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.295 0.569 . . . . 0.0 110.096 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.7 mt -68.67 -38.33 80.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.292 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -66.21 -38.92 89.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.68 -39.08 84.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.691 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 tpt -63.69 -42.04 98.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.073 175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.525 ' O ' HG21 ' A' ' 41' ' ' VAL . 19.9 tp -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.269 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.35 -23.73 65.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.419 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 28.1 m -76.46 -35.31 58.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.375 0.607 . . . . 0.0 110.244 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -70.69 -35.84 72.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG21 ' O ' ' A' ' 37' ' ' LEU . 70.7 t -51.82 -50.47 77.68 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.51 ' HD2' ' O ' ' A' ' 39' ' ' THR . 53.1 Cg_exo -52.3 -42.28 61.29 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.896 1.73 . . . . 0.0 112.615 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.502 ' O ' HG22 ' A' ' 47' ' ' VAL . 86.2 m-85 -68.83 -33.34 73.67 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.757 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.664 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 2.8 mmp_? -54.77 -53.64 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.276 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.461 ' O ' HD21 ' A' ' 49' ' ' LEU . 21.2 m -52.13 -42.92 63.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.925 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.451 0.643 . . . . 0.0 110.693 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 43' ' ' TYR . 98.0 t -69.9 -40.57 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.317 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 4.0 mm-40 -68.34 -39.84 81.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.059 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -61.84 -38.7 89.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.237 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.558 ' SG ' HG22 ' A' ' 59' ' ' THR . 2.7 t -62.36 -52.19 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.198 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.231 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 83.2 mt -73.34 -21.99 60.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.26 -36.53 66.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 111.042 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -108.96 -12.63 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 110.479 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.53 -20.06 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.066 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.02 154.43 16.61 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.581 162.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.25 -2.64 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 123.245 0.618 . . . . 0.0 111.848 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.95 -39.64 27.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.771 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' SG ' ' A' ' 50' ' ' CYS . 14.9 t -76.79 -5.43 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 111.526 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -97.51 60.16 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.0 110.519 -176.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 9.8 t70 -109.57 133.97 52.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.282 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.33 108.37 2.46 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.951 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.64 2.64 24.1 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.314 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.0 m -143.44 162.77 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.7 0.25 . . . . 0.0 110.921 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 62.45 34.2 15.61 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.02 -3.43 84.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.638 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 55.5 mt -92.44 123.51 61.96 Favored Pre-proline 0 N--CA 1.447 -0.617 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 19.9 Cg_exo -65.29 146.99 87.35 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.725 2.284 . . . . 0.0 112.301 -177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -48.67 136.54 13.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.315 172.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.33 125.47 15.26 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.533 2.822 . . . . 0.0 112.993 -172.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -118.33 -177.67 3.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.676 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -135.97 143.27 44.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.855 0.36 . . . . 0.0 110.551 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.468 ' OG1' HG21 ' A' ' 76' ' ' VAL . 30.3 p -85.2 176.95 8.05 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -55.03 -40.27 70.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -92.3 -12.97 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.468 HG21 ' OG1' ' A' ' 73' ' ' THR . 79.0 t -82.48 127.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.378 0.609 . . . . 0.0 110.636 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -81.34 -46.57 14.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.755 -175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' HB2' ' HB ' ' A' ' 89' ' ' THR . . . -171.88 142.63 1.52 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.385 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.486 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.9 ptm -160.92 140.37 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.148 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.5 m -124.59 151.31 44.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 t -125.89 119.31 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -139.08 109.58 6.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.177 0.513 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 52.05 43.8 30.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.368 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.37 -24.05 6.71 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.54 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 38.2 t -73.18 134.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.555 ' HA ' ' O ' ' A' ' 80' ' ' SER . 27.7 m -132.83 121.02 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.516 0.674 . . . . 0.0 111.177 -174.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 79' ' ' MET . 24.9 m -104.17 125.37 50.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.786 176.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.04 137.95 50.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' A' ' 78' ' ' ALA . 11.4 m -119.81 132.49 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.27 46.25 28.06 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 114.952 -1.022 . . . . 0.0 114.052 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.481 HE21 ' HG2' ' A' ' 92' ' ' GLU . 28.8 tp60 -82.95 124.69 30.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.001 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.481 ' HG2' HE21 ' A' ' 91' ' ' GLN . 5.8 mm-40 55.04 -123.31 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.883 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -72.42 -14.51 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.84 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 54.4 mt -87.2 37.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.342 0.591 . . . . 0.0 110.122 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.55 134.23 56.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.995 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.6 -17.85 32.83 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.467 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 8.9 tt -94.27 136.62 34.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.793 0.33 . . . . 0.0 110.215 -176.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -113.02 124.3 52.29 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -100.98 127.43 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.8 t -118.43 102.89 13.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.406 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.6 tpp -92.34 112.45 24.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.628 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.463 ' HB ' ' HB2' ' A' ' 115' ' ' ALA . 5.4 m -111.23 90.9 12.43 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.538 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.402 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 62.1 Cg_endo -77.56 132.96 12.56 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.462 2.108 . . . . 0.0 112.219 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.577 ' HA2' ' N ' ' A' ' 112' ' ' THR . . . 85.03 155.68 24.56 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.633 -0.712 . . . . 0.0 113.148 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -141.96 -39.9 0.37 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -108.12 132.34 53.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.795 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.53 -25.67 65.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.556 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.36 -40.58 67.21 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -173.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -97.74 -2.0 42.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 110.647 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.96 -96.14 0.95 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.8 -0.636 . . . . 0.0 113.023 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.2 t -89.99 79.54 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.174 0.511 . . . . 0.0 110.952 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.577 ' N ' ' HA2' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -74.42 53.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.357 174.319 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.82 -170.51 38.2 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.485 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.402 ' CD1' ' HB3' ' A' ' 103' ' ' PRO . 28.9 m-90 -134.72 128.92 33.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.463 ' HB2' ' HB ' ' A' ' 102' ' ' THR . . . -97.32 121.36 39.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.3 mpt_? -108.76 131.42 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.83 0.348 . . . . 0.0 110.756 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -136.1 127.98 29.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.5 m -111.91 116.26 30.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.839 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -108.67 102.89 11.91 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.34 176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.421 HG22 ' O ' ' A' ' 120' ' ' ILE . 5.7 tp -136.15 100.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.278 173.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.88 -38.62 64.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.11 -169.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 m -90.76 -12.92 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.1 86.81 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.5 t -60.83 -22.08 63.84 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.198 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.55 83.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.349 . . . . 0.0 111.446 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.51 -31.0 67.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.064 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 49.5 tt0 -61.83 -45.13 95.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.953 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.74 -31.52 72.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.41 -48.59 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.394 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 26.2 p -69.05 -44.3 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.975 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 8.7 pt-20 -62.51 -23.65 67.07 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.483 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -70.66 -47.86 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.222 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 135' ' ' ARG . 93.1 t -82.89 -48.54 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.27 0.557 . . . . 0.0 111.193 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.428 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 94.9 m-85 -80.29 23.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.118 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 28.8 ptt180 -51.13 144.33 9.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.634 -166.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.491 ' CD2' HD11 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -101.64 117.59 35.21 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.36 -175.724 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.432 ' HB2' ' ND2' ' A' ' 140' ' ' ASN . 0.7 OUTLIER -61.93 128.77 37.75 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 176.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.37 -13.4 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.32 0.387 . . . . 0.0 111.54 -174.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.47 -20.26 66.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.162 0.506 . . . . 0.0 110.485 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 35.9 m-80 -97.25 2.64 51.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.211 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.491 HD11 ' CD2' ' A' ' 136' ' ' PHE . 86.9 mt -123.81 93.08 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.854 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.9 p -61.3 121.79 65.72 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.068 0.461 . . . . 0.0 110.077 171.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.3 156.3 37.25 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.75 2.3 . . . . 0.0 112.987 -175.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -136.18 98.79 3.95 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 176.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 73.81 112.91 0.07 OUTLIER Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.985 -174.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -67.38 137.64 56.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.896 0.379 . . . . 0.0 110.915 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.61 -15.23 63.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.02 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.5 mt -93.0 90.44 6.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.001 0.429 . . . . 0.0 110.37 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -81.62 -32.06 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -59.36 129.16 40.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.59 -1.187 . . . . 0.0 110.242 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -56.62 123.49 15.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.835 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -63.17 125.86 25.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.118 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -74.48 106.73 6.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.532 -175.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -97.04 142.96 28.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.948 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 54.7 t60 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.737 -179.384 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.753 0.311 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -131.11 118.38 20.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 0.0 110.039 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.507 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 40.5 m-80 -121.81 5.62 9.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -64.35 -38.98 92.96 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.18 -32.85 63.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 35.1 ttm180 -64.62 -41.3 96.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.177 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 7.7 mtmp? -65.88 -40.79 91.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 177.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.93 76.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.738 0.304 . . . . 0.0 111.299 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.49 86.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.378 0.609 . . . . 0.0 109.571 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 88.1 mt -66.28 -33.91 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.324 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 70.1 m -64.65 -41.74 95.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.282 176.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -69.01 -39.12 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.771 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.0 tpt -61.0 -43.73 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.187 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 tm? -61.89 -48.76 79.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.78 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.2 mm100 -66.03 -29.98 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.514 -177.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.578 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 59.1 m -75.93 -32.29 59.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.248 0.547 . . . . 0.0 110.682 175.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 9.5 t80 -70.54 -33.87 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.183 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.54 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.9 t -52.31 -50.92 76.84 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.7 Cg_exo -55.42 -26.22 52.39 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.253 1.969 . . . . 0.0 112.941 174.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 27.9 m-85 -74.84 -42.06 58.69 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.65 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 12.7 mmm180 -61.47 -37.94 85.44 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.448 ' O ' HD22 ' A' ' 49' ' ' LEU . 17.5 m -52.27 -44.03 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.678 0.275 . . . . 0.0 111.178 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.94 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 110.151 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.97 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.08 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.65 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 58.0 mm-40 -68.97 -39.98 79.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.181 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.448 HD22 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -64.84 -43.25 93.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.84 -38.04 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.594 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.474 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . . . -69.83 -45.81 67.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.359 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.07 -17.35 64.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.1 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.47 -40.76 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -108.82 -12.65 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.312 0.577 . . . . 0.0 109.995 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.08 -19.41 30.72 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.07 152.31 17.33 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.862 164.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 ' HG ' ' CB ' ' A' ' 51' ' ' ALA . 3.2 mp -73.11 -1.92 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.765 0.426 . . . . 0.0 111.98 -177.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 18.6 t70 -48.98 -32.94 10.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.647 0.379 . . . . 0.0 112.02 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -83.19 -0.43 49.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.191 0.519 . . . . 0.0 111.011 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.8 m -107.54 63.28 0.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.501 0.667 . . . . 0.0 109.779 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.607 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 27.9 t70 -118.94 135.2 54.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.41 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.35 95.2 0.43 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.83 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.12 1.17 6.32 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.764 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 61' ' ' ASP . 59.4 p -145.91 161.48 39.94 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.977 0.388 . . . . 0.0 111.342 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 56.0 44.96 24.66 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.237 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.34 -19.27 28.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.872 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.8 mt -87.32 127.7 57.94 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.05 164.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.201 1.934 . . . . 0.0 112.727 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.6 m -44.28 136.17 4.1 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.873 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -49.96 129.93 26.07 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.489 2.793 . . . . 0.0 112.956 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.4 p -113.54 176.15 5.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.589 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.8 p -131.74 129.96 41.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.103 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.7 p -73.97 177.16 5.82 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -53.82 -42.9 68.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -167.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -103.37 5.14 37.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.455 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 54.6 t -87.22 128.52 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.239 176.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 m -81.19 -42.36 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.633 -173.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.83 145.06 1.86 Allowed 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.4 ptm -169.32 146.87 3.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.86 0.362 . . . . 0.0 111.04 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -135.2 147.52 49.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.612 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.9 t -121.61 118.68 56.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.607 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -131.3 110.24 10.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.129 0.49 . . . . 0.0 110.778 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.2 mmtp 50.0 46.35 24.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.853 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.41 -24.7 5.43 Favored Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.212 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.409 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 61.6 t -64.46 138.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.6 t -134.62 112.72 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.078 0.466 . . . . 0.0 110.381 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 31.6 t -102.23 121.4 42.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.865 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.44 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.3 mm? -100.77 134.62 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.2 m -123.19 127.54 48.78 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.911 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 48.14 45.91 27.19 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.857 -1.065 . . . . 0.0 114.1 174.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.455 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 28.0 tp60 -72.97 122.7 22.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.211 0.506 . . . . 0.0 110.291 -177.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HG3' HE21 ' A' ' 91' ' ' GLN . 48.4 mt-10 46.86 -116.48 0.69 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.782 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.411 ' C ' ' H ' ' A' ' 95' ' ' ASN . 13.8 m -74.35 -14.43 60.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.817 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 53.3 mt -81.93 38.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.558 -174.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' A' ' 93' ' ' SER . 28.5 t-20 -56.5 132.47 51.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.917 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.25 -10.4 49.26 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.484 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD13 HD23 ' A' ' 94' ' ' LEU . 8.7 tt -93.21 133.63 36.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.061 0.458 . . . . 0.0 110.126 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -112.88 129.44 56.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.5 t -106.51 125.13 62.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.06 103.39 15.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 50.3 ttm -88.79 110.61 21.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.043 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.424 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 10.7 m -106.96 96.67 15.39 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.257 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 102' ' ' THR . 34.4 Cg_endo -66.23 139.59 55.73 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 112.543 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -136.71 129.75 4.95 Favored Glycine 0 N--CA 1.442 -0.964 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 176.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -123.23 52.53 1.38 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.92 0.867 . . . . 0.0 109.131 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.03 85.31 7.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.384 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -57.28 -37.42 72.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.826 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.7 -27.18 65.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.629 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -102.11 -0.06 33.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.966 0.412 . . . . 0.0 110.659 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.58 21.39 64.81 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.487 -175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.6 t -102.76 94.36 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.128 0.489 . . . . 0.0 109.893 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 26.3 p -127.81 99.04 5.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.809 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.23 -160.59 32.9 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.365 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -117.31 124.25 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.517 0.199 . . . . 0.0 110.606 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.78 113.57 25.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -108.46 120.35 42.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.727 -176.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 17.5 m120 -112.2 125.65 54.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.244 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.0 m -102.57 115.61 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -115.53 105.04 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.0 111.133 -177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.474 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.2 tp -135.77 103.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.452 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -74.78 -39.78 61.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -167.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -98.3 2.69 48.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.474 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 6.7 m-20 -142.5 83.81 1.83 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.843 0.354 . . . . 0.0 110.558 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 17.8 t -60.49 -30.98 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.368 -177.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.09 94.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.914 0.387 . . . . 0.0 111.354 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.12 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.102 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -68.06 -43.7 78.05 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.777 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 124' ' ' SER . 97.6 mt-30 -56.64 -40.34 75.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -45.27 49.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.362 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.19 -49.58 55.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.925 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.8 tt0 -63.0 -25.74 68.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.356 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.72 -51.14 69.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.544 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 63.8 t -84.14 -49.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.328 0.585 . . . . 0.0 111.678 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.555 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 87.0 m-85 -86.11 21.87 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.123 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 14.0 ptm180 -49.36 145.93 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.386 0.613 . . . . 0.0 112.44 -173.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 116' ' ' ARG . 9.2 p90 -119.44 110.39 16.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.889 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -91.41 146.42 23.82 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.77 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -13.16 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.108 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.37 -22.13 63.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -107.69 11.82 28.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.435 ' O ' HD11 ' A' ' 141' ' ' LEU . 2.6 pp -153.03 119.6 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.413 0.625 . . . . 0.0 111.185 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.96 129.65 49.45 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.052 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.04 133.85 34.81 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.462 2.108 . . . . 0.0 112.237 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -113.03 124.43 52.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.789 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.62 105.07 0.4 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.101 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.9 m -91.92 120.78 32.91 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.15 33.01 2.24 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.981 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.4 mt -77.06 90.84 3.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.987 0.423 . . . . 0.0 110.563 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.1 -10.9 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -86.62 147.86 25.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.02 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -104.92 161.76 13.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.136 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -132.08 55.33 1.88 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -76.08 -36.22 59.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.893 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -122.69 149.25 44.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.801 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.232 177.865 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.5 mtm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.661 0.267 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.89 123.74 28.53 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -109.32 27.12 9.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 -173.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -70.32 -37.75 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.218 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.37 -38.95 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.884 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 37.4 ttp180 -62.64 -40.9 98.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.099 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -59.78 -50.89 72.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.506 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.75 93.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.88 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 110.284 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 86.9 mt -68.48 -35.88 78.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.371 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 57.4 m -63.97 -38.55 91.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.953 176.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.2 -40.54 86.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.073 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.7 tpp -61.3 -43.32 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.881 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.55 -40.77 96.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.415 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 34' ' ' THR . 28.3 mm-40 -66.24 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.262 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.549 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.8 m -75.7 -29.41 58.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.377 0.608 . . . . 0.0 110.244 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.78 -34.62 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.388 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.507 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 78.8 t -50.75 -51.51 65.4 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.549 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.1 Cg_exo -55.29 -39.61 90.07 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.904 1.736 . . . . 0.0 112.558 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.487 ' O ' HG22 ' A' ' 47' ' ' VAL . 75.2 m-85 -72.26 -24.16 61.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.249 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.529 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 33.1 mtp-105 -55.35 -44.98 76.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.453 ' O ' HD22 ' A' ' 49' ' ' LEU . 34.1 m -52.68 -47.13 67.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.12 86.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.251 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 43' ' ' TYR . 78.7 t -62.03 -48.36 88.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.47 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.6 mt-10 -60.29 -44.84 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -60.99 -43.26 99.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.072 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.6 t -72.27 -32.36 66.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.041 0.448 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.91 74.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.695 -176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -76.8 -19.99 56.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.46 -46.75 68.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -109.29 -11.7 14.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 -19.63 9.46 Favored Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.945 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.88 145.77 18.75 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.015 -1.088 . . . . 0.0 113.116 164.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.7 mt -73.32 -2.04 20.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.059 0.544 . . . . 0.0 111.517 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 29.2 t70 -47.71 -33.88 7.54 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.3 p -90.66 -1.38 57.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.105 0.479 . . . . 0.0 111.983 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.8 m -93.04 72.32 4.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.406 -173.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.84 147.46 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.95 111.99 4.54 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.189 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.46 -4.1 19.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.549 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 p -129.8 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.717 0.258 . . . . 0.0 111.094 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 56.13 28.85 13.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.166 0.586 . . . . 0.0 112.454 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.64 -6.7 76.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.543 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.2 mt -76.4 130.15 77.98 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 46.1 Cg_exo -57.13 155.88 27.09 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.753 2.302 . . . . 0.0 112.854 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.4 t -88.18 138.69 30.54 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.72 124.88 14.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.197 2.598 . . . . 0.0 112.729 -173.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -144.65 179.76 7.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.12 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 54.4 p -130.71 126.67 37.06 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.968 0.413 . . . . 0.0 110.435 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.402 ' OG1' HG23 ' A' ' 76' ' ' VAL . 49.5 p -72.35 178.53 3.9 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -54.0 -42.73 69.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.343 -0.143 . . . . 0.0 111.098 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -89.98 -17.96 26.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.511 ' O ' ' HB ' ' A' ' 72' ' ' THR . 54.1 t -81.02 129.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.241 0.543 . . . . 0.0 110.531 -176.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -86.04 -42.71 13.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.544 -176.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.27 147.14 3.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.207 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.7 ptp -165.84 140.81 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.642 0.589 . . . . 0.0 110.222 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 23.7 m -129.15 145.4 51.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.595 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -118.44 112.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.13 110.97 11.55 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.05 0.453 . . . . 0.0 110.515 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 66.6 mttm 48.05 46.4 19.3 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.109 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.51 -24.89 5.36 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.854 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.3 t -68.04 142.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 80' ' ' SER . 23.2 m -137.2 113.6 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.632 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -104.65 129.0 52.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.462 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.7 141.94 50.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.867 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.1 m -132.33 150.93 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.941 0.4 . . . . 0.0 111.481 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.12 41.85 54.07 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.576 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 24.4 tp60 -83.13 125.71 31.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -174.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 57.31 -139.8 0.86 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.641 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -64.51 -13.31 51.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.893 0.378 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.2 mt -81.33 38.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.003 0.43 . . . . 0.0 111.041 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.415 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 28.6 t-20 -54.36 134.38 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.738 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.28 -23.46 15.09 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.844 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.422 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -85.64 138.13 32.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.741 0.305 . . . . 0.0 110.286 -176.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -118.75 135.6 54.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.051 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.24 128.26 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.79 108.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.925 0.393 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 55.0 tpp -97.59 110.58 23.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.75 177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.462 ' HB ' ' HB2' ' A' ' 115' ' ' ALA . 4.4 m -111.04 90.45 11.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.971 0.415 . . . . 0.0 110.338 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.24 133.33 19.23 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.631 2.221 . . . . 0.0 113.075 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.78 42.11 1.17 Allowed Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.45 ' HA ' ' HA ' ' A' ' 112' ' ' THR . 3.7 t90 -86.7 49.88 1.9 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.554 0.692 . . . . 0.0 110.362 -173.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' A' ' 109' ' ' ASN . 10.7 m-20 -87.86 60.13 5.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.502 178.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.55 -34.54 67.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.414 -171.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.98 -15.33 48.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.564 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 106' ' ' ASP . 71.0 m-20 -99.33 -28.06 13.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.896 -177.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.34 -77.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.06 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.05 177.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.411 0.148 . . . . 0.0 111.057 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 105' ' ' TRP . 8.8 t -169.52 140.77 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.912 0.387 . . . . 0.0 111.279 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.422 ' H ' ' HA ' ' A' ' 105' ' ' TRP . . . 125.53 169.27 12.86 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.036 175.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -119.96 132.09 55.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.462 ' HB2' ' HB ' ' A' ' 102' ' ' THR . . . -92.95 113.03 25.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 136' ' ' PHE . 1.1 mpp_? -108.91 133.69 52.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.804 -177.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -140.26 118.74 12.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.783 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.4 m -104.34 115.08 29.75 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -114.89 104.92 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -175.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 120' ' ' ILE . 5.5 tp -136.84 103.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.965 172.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -74.07 -38.88 63.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -169.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.9 p -88.63 -19.57 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -171.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -134.8 82.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.553 -169.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -60.17 -22.96 63.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.108 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.49 95.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.872 0.368 . . . . 0.0 111.014 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.26 -34.12 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 9.6 tt0 -62.93 -40.8 98.74 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.945 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -53.53 -37.85 63.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.596 0.56 . . . . 0.0 111.589 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.12 -45.64 47.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.7 t -69.22 -49.3 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 11.4 pt-20 -62.23 -25.1 67.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.32 -51.91 21.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.496 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.2 t -82.88 -49.02 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.287 0.565 . . . . 0.0 111.387 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -84.74 24.49 1.03 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 6.9 ptm180 -48.18 140.72 6.99 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.647 -170.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.434 ' HB3' ' HB2' ' A' ' 116' ' ' ARG . 6.5 p90 -117.48 124.55 49.04 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.42 -172.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.24 122.89 23.53 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 172.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.13 -12.11 25.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.694 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.26 -19.85 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.942 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -104.21 10.79 35.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.123 0.487 . . . . 0.0 110.528 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 91.9 mt -133.06 99.81 4.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.555 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.33 134.0 94.64 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.389 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.7 144.91 67.64 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.396 2.064 . . . . 0.0 110.994 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -106.32 110.67 22.97 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -171.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -77.88 -144.61 2.27 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.312 171.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.8 m -59.59 140.48 56.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.202 0.501 . . . . 0.0 110.991 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.63 32.58 2.46 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.075 -176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.41 116.8 9.38 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.19 -19.27 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.238 0.542 . . . . 0.0 110.007 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -91.41 166.69 12.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.554 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -109.45 138.29 46.03 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -133.09 75.4 1.62 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.897 0.379 . . . . 0.0 110.609 -173.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -125.82 33.67 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.229 0.538 . . . . 0.0 111.094 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -98.71 -73.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.532 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 74.1 t60 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.184 176.366 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.522 0.201 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -51.11 -60.28 3.27 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.051 -175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.55 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 87.3 m-20 -90.31 33.56 0.89 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -174.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.19 -44.96 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.194 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.12 -32.46 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.909 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HD2' ' HB3' ' A' ' 92' ' ' GLU . 25.2 tpp180 -66.19 -35.78 81.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.835 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 32.6 mmtp -65.45 -45.75 82.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.313 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.16 65.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.32 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HB2' HG21 ' A' ' 133' ' ' VAL . 96.2 mt -66.08 -38.73 89.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 m -63.68 -40.73 97.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.211 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.13 -39.45 92.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.417 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 tpt -61.85 -46.43 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.255 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.7 tp -59.44 -44.13 92.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.198 0.523 . . . . 0.0 110.53 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.415 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 77.0 mm-40 -67.67 -24.2 65.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.471 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.578 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 48.1 m -76.42 -27.33 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 110.574 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -65.91 -34.99 79.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.615 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 62.4 t -57.16 -50.73 86.5 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.578 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.8 Cg_exo -61.63 -28.77 83.06 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.762 1.642 . . . . 0.0 112.635 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -72.05 -24.96 61.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.033 0.444 . . . . 0.0 110.007 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 23.3 mmm180 -55.49 -42.89 75.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.567 175.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.498 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.1 m -51.11 -47.14 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.282 0.364 . . . . 0.0 111.527 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.79 97.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.37 0.605 . . . . 0.0 110.512 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.25 -44.89 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.475 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 39.3 mt-10 -70.0 -34.49 73.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -64.03 -43.51 95.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.281 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 p -74.53 -37.27 63.11 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.266 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.31 -37.15 64.48 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.528 173.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.3 mt -78.21 -23.24 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.922 0.391 . . . . 0.0 111.145 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.2 -41.23 70.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.89 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -107.42 -12.44 15.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.147 0.499 . . . . 0.0 110.664 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.75 -20.54 6.27 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.665 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.67 164.97 13.41 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.945 163.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.8 mt -73.49 -1.37 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.332 0.653 . . . . 0.0 111.891 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 1.9 m-20 -48.08 -38.79 18.37 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.5 0.72 . . . . 0.0 112.261 -174.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -87.46 -6.45 58.4 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -89.99 69.45 7.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.126 0.489 . . . . 0.0 111.905 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -104.9 154.24 20.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.378 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.56 98.41 0.75 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.044 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.18 4.6 5.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.137 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -148.54 162.22 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.582 -0.363 . . . . 0.0 110.963 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 57.94 47.0 15.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.75 -9.08 46.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.901 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.3 mt -93.85 120.38 65.98 Favored Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.51 150.77 52.19 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.348 2.032 . . . . 0.0 111.881 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.8 m -48.92 134.77 14.41 Favored Pre-proline 0 C--O 1.237 0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.182 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -46.18 123.63 6.68 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.131 2.554 . . . . 0.0 112.103 -171.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -113.02 130.18 56.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.275 -169.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -103.02 125.32 49.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.373 0.606 . . . . 0.0 110.516 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.449 ' H ' ' HB ' ' A' ' 76' ' ' VAL . 43.3 p -80.25 179.11 7.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.567 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -53.97 -36.73 63.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.665 0.269 . . . . 0.0 110.896 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -94.63 -25.02 16.94 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.591 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 73.9 t -80.45 124.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.551 0.691 . . . . 0.0 110.487 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -82.77 -46.01 13.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.826 -173.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.96 147.38 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptp -156.34 147.84 22.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 t -140.5 134.67 31.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.65 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.1 t -114.1 121.42 66.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.16 110.6 7.47 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.163 0.506 . . . . 0.0 110.118 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 69.2 mmtt 53.35 46.88 25.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.384 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.96 -23.4 5.94 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.009 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 46.9 t -71.65 139.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 36.0 m -129.45 117.46 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.714 0.769 . . . . 0.0 110.262 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 14.4 m -103.56 128.74 50.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.242 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -109.09 144.19 37.45 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.8 m -136.52 137.85 40.72 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.334 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.3 46.39 35.36 Favored Glycine 0 C--N 1.335 0.495 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.424 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.591 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 28.8 tp60 -93.3 125.43 37.9 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 122.771 -0.252 . . . . 0.0 110.48 -175.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.505 ' HB3' ' HD2' ' A' ' 29' ' ' ARG . 26.8 mm-40 55.76 -133.49 1.54 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.327 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.4 t -67.54 -14.23 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.865 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 35.4 mt -83.18 39.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.373 0.606 . . . . 0.0 110.304 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -61.72 127.1 29.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.377 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.66 -13.85 59.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.345 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 7.4 tt -90.84 130.29 36.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.926 0.393 . . . . 0.0 109.983 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.6 m -108.56 122.65 47.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.335 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.6 t -100.58 127.28 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.8 t -113.26 102.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.644 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 54.0 tpp -90.06 110.27 21.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.458 ' HB ' ' HB1' ' A' ' 115' ' ' ALA . 37.2 m -111.33 95.17 24.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 36.3 Cg_endo -68.13 142.29 55.42 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.115 1.877 . . . . 0.0 110.885 173.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 111' ' ' VAL . . . 109.27 22.75 6.66 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.641 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -126.65 104.16 7.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.918 0.389 . . . . 0.0 110.043 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.428 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 30.8 t70 -153.36 134.75 14.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.536 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -69.45 -33.07 72.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.17 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.33 -55.51 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -99.03 -25.16 14.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.77 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.09 -66.46 0.42 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.749 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.436 ' HA ' ' HA2' ' A' ' 104' ' ' GLY . 12.6 p -95.65 -22.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.87 0.367 . . . . 0.0 111.751 -175.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.35 59.07 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.153 0.502 . . . . 0.0 111.663 -173.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.428 ' HA3' ' HB2' ' A' ' 106' ' ' ASP . . . -162.4 175.49 38.84 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.644 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 29.1 m-90 -135.19 123.55 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.542 0.211 . . . . 0.0 110.478 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.458 ' HB1' ' HB ' ' A' ' 102' ' ' THR . . . -89.78 130.98 35.96 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.4 mpt_? -108.38 133.16 52.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -144.26 128.64 17.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.957 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.97 124.93 43.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.272 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.413 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 40.1 m-80 -111.71 102.01 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.442 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.447 ' O ' HG21 ' A' ' 120' ' ' ILE . 6.1 tp -138.14 95.15 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.184 172.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -73.44 -15.54 61.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -167.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.5 p -102.23 -23.47 14.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.55 94.99 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 111.764 -168.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.3 m -60.84 -25.09 66.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.313 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.08 -31.72 71.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.689 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.07 -37.0 86.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.004 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -67.34 -35.22 78.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.37 70.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.524 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 31.7 p -68.62 -39.26 80.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.43 -26.55 68.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.018 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -68.97 -45.24 71.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.943 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 33' ' ' LEU . 98.9 t -83.16 -46.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 0.0 111.146 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.495 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 97.9 m-85 -84.05 20.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.49 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' A' ' 133' ' ' VAL . 12.5 ptp180 -49.4 150.46 1.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.441 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 116' ' ' ARG . 88.3 m-85 -84.99 129.85 34.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.771 -167.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -55.82 126.19 24.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.68 170.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.73 -30.23 69.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.418 -177.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.21 -17.71 54.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.668 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -89.93 -0.38 57.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.802 0.81 . . . . 0.0 109.703 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.45 HD13 ' HB2' ' A' ' 136' ' ' PHE . 69.6 mt -119.22 112.2 19.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.68 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.06 115.89 61.31 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.478 . . . . 0.0 110.637 170.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.57 133.56 30.28 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.526 2.151 . . . . 0.0 111.767 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -110.51 115.02 28.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.13 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 95.15 -166.37 25.78 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.103 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 36.6 p -111.19 119.4 38.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 117.065 0.432 . . . . 0.0 109.978 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 98.17 -13.85 62.93 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.33 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.9 mp -89.82 90.41 8.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.055 0.455 . . . . 0.0 109.931 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.12 -33.75 11.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.14 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -69.56 122.22 18.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.589 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -88.69 106.54 18.4 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -77.49 170.88 15.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.153 0.501 . . . . 0.0 111.213 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -81.64 89.16 6.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.438 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -138.52 39.61 2.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.652 174.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.645 177.477 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.832 0.348 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.2 73.88 8.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.296 0.57 . . . . 0.0 110.986 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -136.45 35.89 2.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.54 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -69.13 -41.48 77.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.648 -171.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.44 -44.79 70.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 110.279 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.563 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 15.0 ttp180 -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.291 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -66.03 -42.83 89.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.09 73.0 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 122.216 -0.302 . . . . 0.0 111.093 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.52 98.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 109.664 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.5 mt -63.6 -33.35 75.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 66.8 m -68.23 -38.72 82.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.47 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.65 -40.72 80.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 109.864 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.8 tpp -61.13 -41.4 96.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.538 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 tp -59.83 -41.03 90.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.713 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.4 mm-40 -64.66 -34.49 78.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.972 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.555 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 45.5 m -75.27 -30.65 60.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 110.395 175.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -71.29 -34.79 70.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.59 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 55.5 t -48.65 -51.55 52.05 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.0 Cg_exo -54.63 -24.78 38.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.302 2.002 . . . . 0.0 113.305 176.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -75.51 -37.06 60.39 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.434 0.635 . . . . 0.0 109.316 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.6 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 97.1 mtt180 -56.9 -43.25 81.17 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.441 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.414 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.6 m -51.6 -38.33 54.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.583 0.552 . . . . 0.0 112.04 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.603 0.716 . . . . 0.0 110.22 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.92 -43.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.373 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 26.4 mm-40 -63.31 -41.32 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -62.46 -41.19 98.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.6 t -64.14 -45.28 89.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.048 0.451 . . . . 0.0 109.91 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.479 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -59.87 -26.2 65.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.845 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.3 mt -82.76 -31.81 28.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.795 0.331 . . . . 0.0 111.354 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -75.12 -44.2 48.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.537 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -108.12 -12.29 15.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.235 0.54 . . . . 0.0 111.077 -175.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 68.5 -20.2 0.36 Allowed Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.698 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.62 149.93 18.75 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.083 163.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.58 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 76.2 mt -74.18 -3.82 32.1 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.819 0.448 . . . . 0.0 112.165 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.68 -32.02 50.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 111.96 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.8 p -92.23 -3.7 55.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 58.2 m -89.22 70.19 8.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.125 0.488 . . . . 0.0 111.832 -170.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -109.51 145.68 35.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.22 114.49 6.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.556 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.31 3.23 25.99 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.298 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -148.49 167.66 24.76 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.816 -0.226 . . . . 0.0 110.736 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 52.45 43.6 30.8 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.34 0.656 . . . . 0.0 112.615 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.7 -10.02 57.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.748 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 44.2 mt -91.78 118.66 68.41 Favored Pre-proline 0 N--CA 1.447 -0.578 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.1 Cg_exo -68.34 145.67 66.41 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.459 2.106 . . . . 0.0 111.5 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 p -52.78 125.29 38.15 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.17 130.1 37.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.052 2.501 . . . . 0.0 112.37 -174.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.2 t -120.11 178.14 4.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.317 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -126.82 126.04 42.7 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.0 p -75.01 178.07 5.89 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -53.94 -43.67 70.03 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.202 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -93.17 -14.83 26.65 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -81.61 130.94 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.183 0.516 . . . . 0.0 110.158 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -86.66 -47.13 9.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.787 -172.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -173.07 148.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.211 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptp -162.98 140.29 7.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.861 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 m -136.82 140.54 42.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.04 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -105.49 115.57 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.691 ' O ' HG21 ' A' ' 85' ' ' VAL . . . -130.61 110.56 11.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.258 0.551 . . . . 0.0 110.497 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 47.13 45.48 16.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.513 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.4 -26.19 3.09 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.816 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.691 HG21 ' O ' ' A' ' 82' ' ' ALA . 1.4 m -75.46 141.19 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.28 122.93 60.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.36 0.6 . . . . 0.0 110.892 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -103.24 124.03 47.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.821 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.01 146.59 41.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.588 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.8 m -132.52 137.64 47.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.364 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.63 46.97 38.12 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.949 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.431 HE21 ' HG3' ' A' ' 92' ' ' GLU . 20.8 tp60 -76.22 123.41 25.84 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.431 ' HG3' HE21 ' A' ' 91' ' ' GLN . 33.1 mt-10 46.02 -121.33 1.04 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.988 0.515 . . . . 0.0 111.96 -176.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 95' ' ' ASN . 22.6 t -74.42 -13.24 60.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 62.8 mt -81.93 38.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.236 0.541 . . . . 0.0 110.301 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 93' ' ' SER . 23.7 t-20 -55.26 130.46 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.458 175.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.54 -15.08 58.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.332 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.1 tt -93.31 130.71 38.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.155 0.502 . . . . 0.0 110.198 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 t -112.23 128.21 56.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.623 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.81 129.18 53.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.18 105.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 52.6 ttp -100.02 113.53 26.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.545 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 32.0 m -107.01 100.96 35.2 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.185 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.05 158.48 57.73 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.834 2.356 . . . . 0.0 112.276 178.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.47 132.8 5.44 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -61.68 112.17 2.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.013 0.435 . . . . 0.0 110.168 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.442 ' HB3' ' CG2' ' A' ' 111' ' ' VAL . 24.3 t70 -111.46 106.75 15.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.235 -177.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -68.15 -27.29 66.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.046 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.35 29.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.284 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -84.22 -23.68 30.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.811 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 89.67 25.44 27.67 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.514 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 106' ' ' ASP . 15.5 m -88.23 132.03 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.177 0.513 . . . . 0.0 110.664 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.6 m -71.34 -34.69 70.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.57 -172.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.03 -43.71 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.985 -1.102 . . . . 0.0 113.359 -175.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.0 m-90 -126.61 128.91 47.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.096 0.448 . . . . 0.0 110.943 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.92 116.22 27.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 3.0 mpt_? -108.74 124.12 50.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -176.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -127.08 128.96 47.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.868 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.14 116.07 26.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.729 0.299 . . . . 0.0 110.305 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 20.1 m120 -110.26 106.62 16.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.3 -176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.403 ' HB ' ' CB ' ' A' ' 97' ' ' LEU . 3.4 tp -135.15 107.18 7.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.174 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.8 -39.43 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.3 m -86.82 -18.08 31.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -170.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -139.81 83.26 1.92 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.607 0.242 . . . . 0.0 111.01 -173.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.5 m -59.36 -28.0 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.758 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.16 -32.57 74.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 111.364 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 94' ' ' LEU . 78.0 mt -70.17 -30.59 67.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.0 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.594 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 94.3 mt-30 -57.38 -47.65 81.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.34 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.09 -46.56 67.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.156 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.12 -51.75 67.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 34.4 tt0 -66.07 -31.37 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 110.375 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.594 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 0.9 OUTLIER -69.93 -41.06 75.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.6 t -83.01 -48.22 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.041 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 44.2 m-85 -77.5 -20.67 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.233 -172.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 74.8 ttt180 -109.34 111.02 22.35 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.198 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -134.46 108.62 8.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.823 168.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -85.44 156.21 20.92 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 170.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.47 -19.68 62.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.154 -171.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.69 -22.98 56.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.071 0.462 . . . . 0.0 110.817 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -93.99 0.59 56.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.049 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.4 mt -116.33 100.07 7.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.059 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.16 129.86 92.77 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.276 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.5 133.11 55.92 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.27 1.98 . . . . 0.0 111.236 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -72.18 120.23 17.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.38 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -65.72 150.65 51.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.586 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.3 t -68.01 121.62 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.44 -18.85 20.17 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.795 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 77.4 mt -85.89 90.56 8.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -107.6 -39.65 5.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -174.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -85.23 99.78 11.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.156 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -65.74 107.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.468 0.652 . . . . 0.0 110.854 174.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -144.12 -22.76 0.56 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.293 178.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -120.91 45.98 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 109.697 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -165.72 -52.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.595 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 . . . . . 0 C--O 1.246 0.886 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.6 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.424 0.154 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.17 76.96 2.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.443 0.64 . . . . 0.0 110.229 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -120.75 25.44 9.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.484 -177.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -70.1 -35.75 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.212 -173.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.22 -34.78 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.08 0.467 . . . . 0.0 110.052 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.54 -35.99 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.206 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.13 -46.63 85.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.234 175.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.01 98.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -31.98 71.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.911 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.6 m -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.793 175.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.62 -40.92 89.01 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.036 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.813 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 41' ' ' VAL . 33.5 tp -61.61 -42.44 98.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.1 mm-40 -66.48 -28.53 68.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.489 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.495 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 55.0 m -77.25 -33.36 55.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.195 0.522 . . . . 0.0 110.719 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE1' ' HE1' ' A' ' 101' ' ' MET . 30.2 t80 -70.13 -36.82 75.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.645 -175.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 99.0 t -57.0 -49.82 91.79 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 77.6 Cg_exo -51.64 -36.06 59.45 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.338 2.025 . . . . 0.0 113.059 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.514 ' O ' HG21 ' A' ' 47' ' ' VAL . 60.1 m-85 -72.01 -34.51 68.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.253 0.549 . . . . 0.0 109.76 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.537 ' NH2' HG23 ' A' ' 47' ' ' VAL . 5.2 mmp_? -60.59 -40.23 90.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.052 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.428 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 24.9 m -53.69 -41.42 66.91 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.049 173.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.24 74.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.771 0.796 . . . . 0.0 110.326 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' NH2' ' A' ' 44' ' ' ARG . 87.6 t -71.16 -39.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 45' ' ' THR . 11.9 pt-20 -67.05 -32.94 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.261 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.97 -44.37 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.59 -32.6 74.12 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.396 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -40.0 76.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.467 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.42 -25.01 45.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.003 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.5 -43.71 98.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -108.43 -13.05 14.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.134 0.493 . . . . 0.0 110.598 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -19.77 5.62 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.088 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.21 145.83 18.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.656 164.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.3 -3.06 21.55 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.771 0.428 . . . . 0.0 111.276 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.11 -31.23 18.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.075 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.7 p -94.87 5.47 51.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.923 0.392 . . . . 0.0 112.038 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 78.0 m -101.71 73.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.427 0.632 . . . . 0.0 110.922 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -109.34 159.1 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.899 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.07 108.34 2.41 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.768 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.08 6.49 12.31 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.857 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -148.63 160.66 42.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.275 0.538 . . . . 0.0 111.49 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 53.41 46.67 25.8 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.053 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 -13.25 60.35 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.03 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.75 122.14 59.52 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.45 150.86 70.62 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.439 2.093 . . . . 0.0 112.479 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.8 m -50.73 140.82 18.86 Favored Pre-proline 0 C--O 1.235 0.293 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.894 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.53 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 23.4 Cg_endo -61.2 124.59 15.12 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.533 2.155 . . . . 0.0 111.831 -175.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -136.4 167.62 21.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.783 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 18.4 p -117.06 126.39 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.606 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.2 p -80.76 177.1 9.25 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -53.49 -39.17 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -174.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -100.0 12.73 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.404 ' O ' ' HB ' ' A' ' 72' ' ' THR . 90.6 t -112.5 130.8 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.358 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 m -97.91 -39.34 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.723 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.444 ' HB2' ' HB ' ' A' ' 89' ' ' THR . . . -146.34 154.3 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -174.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.53 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -163.01 160.16 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.324 -177.044 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 49.3 m -155.2 135.85 13.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.342 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 40.9 t -128.79 121.5 54.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.19 110.69 5.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.035 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 48.81 48.11 20.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.504 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.99 -23.3 18.21 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.115 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 62.3 t -65.7 133.27 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 80' ' ' SER . 48.4 t -136.89 109.86 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.217 0.532 . . . . 0.0 110.246 -177.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 79' ' ' MET . 34.3 t -104.93 125.74 51.26 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.553 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -113.01 147.35 37.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 97' ' ' LEU . 29.4 m -150.43 145.38 26.02 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 47.29 46.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.575 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -96.08 122.48 38.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.67 -119.84 0.64 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.042 0.537 . . . . 0.0 112.388 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 t -75.64 -14.36 60.36 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 111.597 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.62 40.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.706 -173.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -53.32 136.35 37.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.421 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.55 -22.21 4.85 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.89 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 89' ' ' THR . 9.4 tt -79.37 138.29 37.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.028 0.414 . . . . 0.0 110.566 -175.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -118.55 129.03 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.272 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 59.0 t -109.11 129.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.87 103.73 14.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.072 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.55 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 29.9 tpp -83.02 109.57 17.22 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.0 m -114.68 117.37 42.47 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.857 -174.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 25.6 Cg_exo -64.07 127.94 20.57 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.124 1.883 . . . . 0.0 111.84 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.39 37.72 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.591 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 19.0 t90 -121.21 90.43 3.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.55 -16.62 16.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.151 -0.932 . . . . 0.0 113.201 -169.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -64.43 -26.97 68.68 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.182 -0.324 . . . . 0.0 111.78 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.84 -55.23 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -172.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -110.4 16.32 21.68 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.38 -57.95 2.86 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.419 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.43 -30.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.3 p -128.22 -169.72 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.218 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.591 ' HA3' ' O ' ' A' ' 105' ' ' TRP . . . 156.54 175.0 27.0 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -117.47 124.09 47.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.293 0.546 . . . . 0.0 111.101 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.86 141.26 29.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.73 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.55 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -108.62 140.93 41.3 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.125 -177.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.9 m120 -143.28 123.69 13.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.4 m -103.72 114.84 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -116.56 106.02 13.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.269 0.557 . . . . 0.0 111.256 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -134.37 108.68 11.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 172.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.84 -39.6 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -165.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 p -96.29 -18.46 19.98 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -133.21 89.7 2.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.874 -169.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 35.3 m -61.0 -25.83 67.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.793 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.19 70.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.014 0.435 . . . . 0.0 111.519 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.47 -37.27 60.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.433 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 31.7 tt0 -65.95 -43.89 86.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.601 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 124' ' ' SER . 98.9 mt-30 -52.71 -37.32 58.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.426 0.454 . . . . 0.0 111.36 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -47.1 29.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.163 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.69 -49.09 67.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 135' ' ' ARG . 4.4 pt-20 -65.99 -23.82 66.65 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.65 -48.66 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.969 0.414 . . . . 0.0 110.296 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.65 -49.01 18.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.32 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.62 21.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.455 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 9.7 ptm180 -48.57 139.92 8.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.163 0.983 . . . . 0.0 113.448 -168.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -134.81 122.21 21.75 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 113.946 -1.479 . . . . 0.0 109.851 -175.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -78.82 147.66 33.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.863 0.363 . . . . 0.0 110.061 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -77.99 17.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.565 -174.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.93 -34.72 24.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 110.032 174.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -82.03 -22.51 36.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.747 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 62.9 mt -95.72 117.86 31.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.613 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.9 p -52.91 123.47 32.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.659 174.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.04 160.71 39.72 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.016 2.477 . . . . 0.0 112.272 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -78.65 115.29 18.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.057 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 97.77 103.3 2.25 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.108 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.9 m -70.25 120.68 16.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.919 0.39 . . . . 0.0 110.721 -175.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 83.85 -4.36 82.85 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.61 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.7 mt -100.95 89.24 3.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.009 0.433 . . . . 0.0 110.365 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -83.29 -43.64 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -99.2 95.09 6.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.505 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -72.46 105.34 4.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.013 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -69.85 129.69 40.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.702 -175.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -165.51 135.3 3.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.261 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -135.27 23.87 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.328 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.36 -175.645 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.822 0.344 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HG3' ' ND2' ' A' ' 26' ' ' ASN . 13.2 pt-20 -88.21 -177.85 5.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.156 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' ND2' ' HG3' ' A' ' 25' ' ' GLU . 54.6 m-80 67.55 15.18 9.75 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.551 0.532 . . . . 0.0 111.532 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.38 -41.87 72.5 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.998 -172.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.45 -42.45 98.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.271 0.558 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.593 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 19.4 ttp180 -67.95 -34.42 76.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.826 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 54.2 mttm -56.55 -51.46 68.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.188 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.96 76.4 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.26 88.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 109.971 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 70.4 mt -68.86 -36.48 78.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.574 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.9 m -67.33 -38.27 84.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.169 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.07 -39.72 82.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.235 0.541 . . . . 0.0 109.897 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.707 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 16.1 ttt -59.48 -47.52 85.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.8 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HG21 ' A' ' 41' ' ' VAL . 36.8 tp -62.76 -41.36 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.406 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -64.26 -30.57 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.861 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.54 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 31.5 m -75.13 -31.77 61.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.381 0.61 . . . . 0.0 110.412 177.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -71.36 -35.08 71.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.22 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 71.0 t -47.37 -51.89 39.94 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.54 ' HD2' ' O ' ' A' ' 39' ' ' THR . 53.0 Cg_exo -55.2 -37.5 94.24 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.0 1.8 . . . . 0.0 112.925 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.96 -26.12 65.78 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.421 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 55.3 mtm180 -58.28 -43.52 88.02 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.451 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.406 ' O ' HD22 ' A' ' 49' ' ' LEU . 41.9 m -51.36 -40.09 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.392 0.432 . . . . 0.0 112.033 177.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.562 0.696 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.49 -42.54 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.284 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.2 mt-10 -62.29 -44.73 95.84 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.81 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -58.57 -43.36 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.627 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 t -64.78 -48.42 74.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.459 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.471 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -63.48 -23.72 67.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.032 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.0 mt -83.27 -50.11 8.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -70.02 -33.85 72.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.902 -172.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -106.47 -12.5 15.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.486 0.66 . . . . 0.0 109.899 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.07 -20.52 0.22 Allowed Glycine 0 CA--C 1.521 0.457 0 CA-C-N 114.829 -1.078 . . . . 0.0 114.058 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.27 151.7 18.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.691 -1.243 . . . . 0.0 113.064 164.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.68 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 17.7 mt -73.56 -3.0 25.17 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.072 0.549 . . . . 0.0 111.772 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.28 -38.08 50.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.845 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -90.78 6.24 45.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 16.0 m -100.49 54.93 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t70 -109.12 134.01 52.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.07 113.08 3.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.202 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.8 -4.71 22.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.28 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.6 p -148.3 174.39 12.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 61.33 29.64 18.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.788 0.328 . . . . 0.0 111.812 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.07 -8.33 70.94 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.427 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.8 mt -92.88 121.31 66.15 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.13 145.48 84.69 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.462 2.108 . . . . 0.0 111.889 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.1 m -46.39 136.18 7.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.355 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -49.12 125.07 12.62 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.56 2.84 . . . . 0.0 112.883 -171.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 p -94.92 135.71 36.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.224 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 p -103.58 126.04 50.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.141 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 p -74.89 176.62 6.95 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.455 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -55.96 -43.07 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.14 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -90.97 -19.21 23.5 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.545 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 49.1 t -81.74 130.84 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -84.42 -52.51 6.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.419 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.13 142.18 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.597 0.237 . . . . 0.0 110.706 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ptm -161.37 143.44 11.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.25 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 31.4 t -133.64 145.15 49.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.734 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.27 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.477 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -128.47 108.81 10.85 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -178.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 46.45 48.44 13.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.669 -1.151 . . . . 0.0 110.976 -176.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.89 -24.35 6.85 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.395 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.86 133.45 31.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 80' ' ' SER . 58.8 t -129.4 112.18 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.044 0.449 . . . . 0.0 110.662 -172.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -104.87 124.08 48.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.028 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.16 148.44 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 m -140.42 149.52 42.7 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.293 -0.563 . . . . 0.0 112.294 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.87 46.1 31.89 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.762 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.707 ' HG2' ' SD ' ' A' ' 36' ' ' MET . 31.9 tp60 -88.66 124.45 34.1 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.831 -176.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.427 ' HG2' HE21 ' A' ' 91' ' ' GLN . 4.7 mm-40 45.84 -117.76 0.71 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.521 178.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.6 t -74.25 -14.62 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.003 0.43 . . . . 0.0 110.832 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 63.2 mt -89.58 37.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.188 0.518 . . . . 0.0 110.619 -175.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -53.55 133.01 41.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.574 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.15 -20.16 22.74 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.978 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 118' ' ' CYS . 10.5 tt -86.69 143.96 27.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.887 0.375 . . . . 0.0 110.77 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 m -124.67 127.96 48.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.284 177.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.59 129.4 54.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.41 108.63 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.127 0.489 . . . . 0.0 110.26 -175.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 47.9 ttp -91.56 111.5 23.04 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m -115.72 82.55 10.46 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.823 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.51 131.0 26.56 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.266 1.978 . . . . 0.0 111.984 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.54 134.21 7.62 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 28.0 t90 62.69 39.65 10.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 122.503 1.144 . . . . 0.0 108.151 -170.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -72.07 -6.26 41.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.451 -175.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -53.7 -31.6 48.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.885 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.36 -22.92 65.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 0.0 111.332 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 115' ' ' ALA . 30.6 m-80 -105.51 -27.95 11.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.89 -9.21 70.67 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.01 -0.615 . . . . 0.0 112.163 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.01 96.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.77 0.319 . . . . 0.0 110.334 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.1 p -59.71 128.51 37.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.503 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.29 -65.7 0.55 Allowed Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.007 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -139.42 123.2 17.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.412 ' HB3' ' ND2' ' A' ' 109' ' ' ASN . . . -88.66 130.73 35.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.457 ' HB2' ' HG2' ' A' ' 135' ' ' ARG . 6.4 mmm180 -109.68 120.7 43.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.22 136.9 53.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.522 ' SG ' HD11 ' A' ' 97' ' ' LEU . 46.9 t -124.65 123.94 41.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -124.87 109.52 13.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 111.9 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.8 tp -134.6 110.88 13.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -71.65 -40.31 69.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -167.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -109.05 12.26 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -170.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -152.59 90.26 1.47 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.969 0.414 . . . . 0.0 111.962 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.3 m -60.83 -28.16 68.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.578 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.65 79.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.773 0.32 . . . . 0.0 111.463 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.12 -34.37 77.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.08 -38.23 82.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -53.96 -42.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.681 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.94 35.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.833 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.23 -53.53 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -68.36 -26.86 65.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.318 -175.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.89 -40.23 79.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.7 t -82.34 -40.06 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -83.08 -18.76 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 131' ' ' GLU . 57.8 mtp180 -111.08 109.09 19.02 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.581 176.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -116.86 104.95 11.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 160.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.561 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 14.6 m-20 -69.67 125.58 27.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.016 174.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.56 -14.96 48.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.624 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -77.87 -31.37 51.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.525 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -83.06 -19.48 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 137' ' ' ASP . 52.9 mt -87.85 165.34 15.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.534 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.9 t -95.68 124.07 53.96 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.31 132.96 31.04 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.017 1.811 . . . . 0.0 111.367 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -122.63 113.38 19.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.511 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -173.48 154.8 20.97 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.576 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.6 m -64.58 162.38 15.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.45 30.9 4.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.167 -1.016 . . . . 0.0 112.352 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.9 mp -75.55 111.17 10.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.74 -27.24 22.48 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -75.42 99.06 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.49 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -55.69 129.39 38.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.492 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -82.55 52.27 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -171.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -143.19 102.39 3.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -132.0 49.08 2.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.002 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.836 -177.577 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.415 ' HG3' ' HG3' ' A' ' 25' ' ' GLU . 26.4 ptm . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.538 0.208 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 24' ' ' MET . 44.4 mt-10 -110.87 89.9 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.011 0.434 . . . . 0.0 110.887 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -112.53 9.28 19.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.068 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -61.49 -45.85 92.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.352 -174.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.7 -34.96 62.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 33.8 ttm180 -59.1 -41.92 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.739 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -57.93 -49.79 75.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.494 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.91 72.91 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.529 0.68 . . . . 0.0 109.45 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 68.2 mt -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.812 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 33.4 m -65.59 -41.92 92.29 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.228 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.31 -40.38 85.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.79 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.45 -42.27 98.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.545 ' O ' HG21 ' A' ' 41' ' ' VAL . 41.6 tp -57.97 -41.75 83.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 34' ' ' THR . 28.6 mm-40 -61.18 -34.26 74.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.423 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.571 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 39.2 m -75.7 -32.51 60.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.773 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 32.3 t80 -71.44 -35.07 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 37' ' ' LEU . 72.4 t -49.08 -51.12 58.9 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.571 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.8 Cg_exo -54.76 -32.46 76.59 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.015 1.81 . . . . 0.0 113.376 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -72.99 -27.79 62.01 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.154 -0.341 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -61.97 -37.93 86.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.162 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.424 ' O ' HD22 ' A' ' 49' ' ' LEU . 11.1 m -52.87 -45.13 67.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.579 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.29 76.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.561 0.696 . . . . 0.0 109.908 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.484 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 98.0 t -68.47 -39.68 81.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.585 -1.188 . . . . 0.0 110.123 176.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.85 -40.21 94.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.032 0.444 . . . . 0.0 110.225 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 45' ' ' THR . 4.0 mm? -62.33 -45.89 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.402 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 25.2 p -77.05 -21.62 54.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.692 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.95 63.86 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.29 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -81.12 -16.32 53.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.43 -34.8 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.569 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -107.25 -13.15 15.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 109.251 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.49 -20.5 6.05 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.239 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.93 158.09 14.63 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.399 161.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.79 -1.75 15.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.193 0.597 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.77 -34.91 13.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.841 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 p -87.63 9.86 19.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.2 m -105.82 58.22 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.174 178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 32.2 t70 -106.68 140.01 40.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.764 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.39 101.91 1.67 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.132 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.86 5.91 23.36 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.96 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.0 t -148.14 161.11 42.1 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 59.64 38.44 22.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.653 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.5 -18.99 34.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.748 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 53.6 mt -86.18 126.65 64.4 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.87 162.36 39.46 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.111 1.874 . . . . 0.0 112.355 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t -43.46 137.54 3.01 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.257 173.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.606 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 5.2 Cg_endo -46.48 142.7 9.26 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 124.208 3.272 . . . . 0.0 113.516 -170.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m -98.6 140.65 32.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.693 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.36 177.25 4.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.7 p -142.33 175.64 9.61 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.7 -41.69 97.93 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.076 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.627 ' HB3' ' NE2' ' A' ' 91' ' ' GLN . 19.5 m-85 -82.74 -19.2 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -93.33 126.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.088 0.471 . . . . 0.0 110.841 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 t -91.63 -36.24 13.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.37 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.46 ' HB1' ' HB ' ' A' ' 89' ' ' THR . . . -150.74 152.4 33.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.028 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.606 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -149.32 168.27 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.396 0.617 . . . . 0.0 112.121 -174.412 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 39.3 t -163.04 136.36 5.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.751 176.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.06 113.93 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.408 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -135.72 111.03 9.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.946 0.403 . . . . 0.0 110.311 -176.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 51.33 44.33 28.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.591 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 87.48 -24.91 8.87 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.417 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.84 129.75 34.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 80' ' ' SER . 61.8 t -128.93 111.27 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 -172.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 33.0 t -104.64 120.88 42.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.772 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mp -113.85 123.84 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.46 ' HB ' ' HB1' ' A' ' 78' ' ' ALA . 30.8 m -115.97 148.85 39.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.807 0.337 . . . . 0.0 111.316 -172.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.11 46.88 55.98 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 114.009 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.627 ' NE2' ' HB3' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -78.99 121.15 24.56 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.406 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 41.2 mt-10 34.79 -112.94 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -173.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -74.7 -13.89 60.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.422 -175.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 65.6 mt -84.38 37.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.176 0.512 . . . . 0.0 110.294 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.07 135.65 56.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.261 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.66 -10.46 62.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.632 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -100.1 138.51 37.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.958 0.408 . . . . 0.0 110.426 -177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.2 m -118.29 121.08 39.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.356 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.539 HG23 ' SG ' ' A' ' 130' ' ' CYS . 21.6 t -90.09 119.81 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.06 102.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -177.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.492 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 56.8 ttp -87.09 110.84 20.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.5 m -107.72 90.36 6.17 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.171 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 58.3 Cg_endo -75.2 142.35 27.17 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.437 2.091 . . . . 0.0 111.826 176.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.07 -156.03 12.98 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.545 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.9 p-90 -128.91 27.87 5.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.287 0.565 . . . . 0.0 109.859 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -75.64 73.3 2.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.851 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -63.91 -26.4 68.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.61 68.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -77.27 -22.19 52.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.452 0.644 . . . . 0.0 109.608 176.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.46 13.8 77.67 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 114.726 -1.124 . . . . 0.0 112.334 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.8 m -82.91 130.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.045 0.45 . . . . 0.0 110.301 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 p -81.19 69.78 7.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.795 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . 80.27 -62.19 4.3 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.182 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -103.95 123.42 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.625 0.25 . . . . 0.0 110.351 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -95.07 134.74 37.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -113.28 121.99 46.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.159 0.505 . . . . 0.0 111.472 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -131.77 113.32 13.38 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.253 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.5 114.58 28.97 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -104.43 105.22 15.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.147 0.499 . . . . 0.0 110.678 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 4.5 tp -135.68 95.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.019 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.97 -20.71 59.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.405 -167.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.5 p -99.34 -15.49 18.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -145.7 80.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.776 0.322 . . . . 0.0 111.045 -171.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.8 m -59.77 -24.94 64.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.828 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.05 -32.82 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.82 -41.42 83.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.44 -41.35 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.861 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -48.14 24.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.539 ' SG ' HG23 ' A' ' 99' ' ' VAL . 42.0 t -62.27 -52.81 62.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.115 -174.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.88 -33.46 75.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.121 0.486 . . . . 0.0 110.617 -175.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.98 -38.6 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.161 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 75.8 t -80.97 -46.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -71.57 -18.6 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -110.67 112.54 24.5 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.358 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -123.23 107.56 11.83 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.497 168.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.05 116.34 18.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 170.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.21 -24.75 68.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.974 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.22 -23.74 57.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -88.6 -27.6 21.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.993 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.88 106.51 18.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.429 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.53 115.0 64.39 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-O 121.246 0.546 . . . . 0.0 110.291 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.97 133.62 15.37 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.539 2.159 . . . . 0.0 112.009 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -114.86 99.76 7.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.978 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 47.26 -144.51 5.11 Favored Glycine 0 C--N 1.335 0.49 0 CA-C-N 116.28 -0.418 . . . . 0.0 113.653 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.6 m -76.75 161.8 28.2 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 174.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.64 14.27 10.58 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.492 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.5 125.14 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.92 -37.99 87.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.939 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -95.19 74.95 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.377 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -95.14 127.52 41.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.625 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -60.84 110.23 1.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.58 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -76.26 117.11 17.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.474 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -93.48 -24.27 18.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 75.6 t60 . . . . . 0 C--O 1.25 1.109 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.343 -179.662 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -143.75 89.77 2.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m120 60.89 81.85 0.18 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.81 0.694 . . . . 0.0 111.391 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.17 -30.59 69.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.612 0.244 . . . . 0.0 111.277 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.4 -43.07 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' HD13 ' A' ' 33' ' ' LEU . 38.4 ttm180 -66.59 -36.63 83.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.759 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -57.05 -46.28 82.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.097 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.89 75.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.808 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.19 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.062 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 29' ' ' ARG . 4.7 mp -63.99 -41.0 97.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.161 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -66.85 -37.25 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.87 -41.93 82.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.435 ' HE3' ' OE1' ' A' ' 91' ' ' GLN . 15.4 tpt -64.1 -39.89 95.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.144 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.2 tp -62.89 -41.93 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.464 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -68.0 -30.19 69.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.0 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.627 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 54.3 m -75.19 -27.48 59.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.17 0.509 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -70.03 -33.99 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.56 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 87.3 t -50.46 -51.96 59.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' A' ' 39' ' ' THR . 47.1 Cg_exo -58.31 -25.44 72.67 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.258 1.972 . . . . 0.0 113.24 176.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.27 -34.59 61.37 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.524 0.678 . . . . 0.0 109.19 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 39.2 mtm180 -61.21 -34.16 74.64 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.195 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.598 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 25.6 m -50.84 -40.36 55.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.57 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.26 80.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.35 -41.25 73.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.329 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 44.7 mm-40 -64.41 -35.07 79.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.433 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 45' ' ' THR . 95.9 mt -61.42 -45.75 92.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.96 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.15 -45.62 76.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.568 177.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.07 71.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.752 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.6 tp -81.47 -21.54 38.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.969 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -78.45 -48.19 15.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -110.05 -13.68 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.62 -19.75 3.08 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 119.993 -0.337 . . . . 0.0 113.534 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.73 145.16 16.86 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.376 165.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 85.0 mt -74.92 -9.0 58.12 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.458 0.303 . . . . 0.0 111.713 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.4 -34.69 58.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.024 0.44 . . . . 0.0 111.741 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.9 p -82.55 -7.35 59.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.238 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 24.1 m -89.16 70.62 8.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 110.524 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -110.26 152.13 26.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.05 85.45 0.9 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.356 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.32 15.98 2.94 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.526 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 m -149.42 159.71 44.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.903 0.352 . . . . 0.0 110.802 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 54.7 41.21 32.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.158 0.583 . . . . 0.0 112.035 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.44 -19.17 25.09 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.172 176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mt -84.42 120.96 75.0 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.12 156.39 33.74 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.316 2.011 . . . . 0.0 112.167 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -54.02 136.64 57.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.327 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 30.5 Cg_endo -62.35 156.15 53.0 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.101 2.534 . . . . 0.0 112.867 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.3 p -116.31 162.39 17.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.999 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.402 HG21 ' HE2' ' A' ' 79' ' ' MET . 2.9 p -112.14 124.33 52.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 177.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.7 p -89.46 177.58 6.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.43 -43.62 68.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -98.87 16.52 22.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.413 HG21 HE22 ' A' ' 91' ' ' GLN . 98.4 t -104.75 129.61 57.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -92.78 -42.07 9.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.432 ' HB1' ' HB ' ' A' ' 89' ' ' THR . . . -154.38 160.96 41.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.051 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.486 ' H ' ' HE1' ' A' ' 79' ' ' MET . 0.0 OUTLIER -160.4 156.93 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.523 -176.392 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 77.6 p -157.21 141.68 16.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.868 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.4 t -123.12 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.11 109.7 5.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.456 . . . . 0.0 110.083 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 54.25 41.34 32.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.237 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.76 -22.87 8.35 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 113.096 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.446 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 44.0 t -69.93 134.04 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' A' ' 80' ' ' SER . 24.4 m -135.08 119.88 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.527 0.68 . . . . 0.0 110.872 -174.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.3 m -103.51 120.69 41.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.343 175.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -114.44 111.19 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.113 -177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.432 ' HB ' ' HB1' ' A' ' 78' ' ' ALA . 33.3 m -106.49 148.16 28.52 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.536 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.75 47.84 82.47 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.436 -178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 25.2 tp60 -89.06 126.16 35.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 54.44 -141.45 0.86 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.172 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -65.49 -12.43 52.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.046 0.45 . . . . 0.0 111.469 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 35.7 mt -80.76 40.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.166 0.586 . . . . 0.0 110.858 -173.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -55.57 138.45 46.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.065 0.46 . . . . 0.0 110.535 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.25 -19.69 21.28 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.662 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.521 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.8 tt -88.93 139.38 30.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t -120.09 123.28 43.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.977 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 87' ' ' SER . 23.7 t -96.11 126.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.96 102.73 14.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 38.6 ttm -98.61 110.65 23.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.936 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.2 m -111.84 97.79 39.09 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.945 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 114' ' ' TRP . 23.1 Cg_endo -64.2 129.87 25.5 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.064 1.843 . . . . 0.0 110.977 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.16 -46.5 5.57 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.364 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 58.79 27.69 16.37 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.028 0.918 . . . . 0.0 109.283 -175.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -101.03 84.15 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.993 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -65.01 -25.26 67.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.358 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.73 81.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.992 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -94.54 -0.15 54.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.109 0.48 . . . . 0.0 110.808 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.19 9.46 85.58 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.467 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.8 t -100.52 67.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.548 0.69 . . . . 0.0 109.958 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.4 t -90.7 -11.28 40.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.34 0.59 . . . . 0.0 109.762 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.05 -149.37 13.03 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.603 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.456 ' HA ' ' HA ' ' A' ' 103' ' ' PRO . 21.4 m-90 -112.71 135.4 53.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 0.0 111.62 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.98 120.48 31.23 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -109.32 140.05 43.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.05 0.453 . . . . 0.0 110.852 -177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.426 ' ND2' ' HA ' ' A' ' 154' ' ' HIS . 28.8 t-20 -142.21 124.63 15.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.609 174.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -104.76 114.54 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -109.34 105.88 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -135.43 104.21 4.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.252 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.05 -38.39 66.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -168.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -98.65 0.64 45.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -145.67 75.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.495 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.5 m -59.24 -19.93 49.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.676 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.5 -32.8 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.188 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 8.3 tt0 -61.09 -48.36 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 177.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -62.23 -33.58 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.286 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.14 -41.96 60.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.002 0.43 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -64.81 -52.4 56.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.107 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 12.2 pt-20 -61.84 -24.15 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -178.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.17 -51.28 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.882 0.372 . . . . 0.0 110.695 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.53 -48.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.414 0.626 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -81.62 24.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.892 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -51.34 145.82 7.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.85 0.833 . . . . 0.0 112.662 -171.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . 0.404 ' CD2' HD13 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -91.44 131.55 36.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.585 -178.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -61.4 134.65 57.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.247 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -69.14 0.25 4.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.201 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -76.15 -21.22 56.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.755 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -101.17 10.31 41.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.552 0.691 . . . . 0.0 110.121 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.404 HD13 ' CD2' ' A' ' 136' ' ' PHE . 80.2 mt -127.22 92.63 3.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.846 -176.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.33 116.94 52.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 171.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.66 132.75 12.3 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.061 1.841 . . . . 0.0 112.211 -174.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -105.43 96.99 6.9 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 80.17 170.69 41.77 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -171.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.5 m -108.83 154.54 21.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.283 0.542 . . . . 0.0 110.29 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.15 33.94 3.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.0 -1.095 . . . . 0.0 112.759 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.71 90.02 7.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.137 0.494 . . . . 0.0 110.416 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -97.96 -13.16 21.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.437 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -135.82 127.38 28.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -110.13 152.9 25.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.678 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -130.54 23.18 5.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.064 0.459 . . . . 0.0 110.294 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -69.92 113.76 7.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.609 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . 0.426 ' HA ' ' ND2' ' A' ' 117' ' ' ASN . 34.2 p80 -114.65 172.7 6.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.824 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 21.3 t60 . . . . . 0 C--O 1.245 0.826 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.669 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.37 -34.08 77.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.935 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.63 -49.37 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 44.9 ttp180 -67.66 -37.38 82.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.385 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.3 -48.03 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.52 70.92 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.9 77.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.534 0.683 . . . . 0.0 109.665 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.5 mt -65.54 -33.57 76.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.92 176.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 51.1 m -63.9 -42.77 97.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.076 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.08 -35.93 79.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.5 tpp -60.33 -43.79 96.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.671 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.15 -39.22 93.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.431 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.8 mm-40 -66.87 -24.51 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.591 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 27.1 m -75.13 -32.73 61.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.206 0.527 . . . . 0.0 110.09 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 25.7 t80 -70.21 -34.65 73.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.806 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 54.9 t -45.9 -53.41 21.15 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.4 Cg_exo -57.79 -36.7 98.2 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.76 1.64 . . . . 0.0 112.587 177.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -71.66 -25.76 62.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.245 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -58.03 -47.1 84.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.249 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -53.15 -42.04 65.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.504 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.421 0.629 . . . . 0.0 110.338 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.99 -45.82 95.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.948 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.37 -41.22 85.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.348 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.87 -44.08 91.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.85 -60.77 3.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.588 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.37 -29.21 65.83 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.19 -47.82 12.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.764 0.316 . . . . 0.0 111.496 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -77.22 -43.3 34.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -89.6 -6.67 56.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.671 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.3 19.79 57.81 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.155 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.96 140.72 10.92 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.647 -1.264 . . . . 0.0 111.585 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.3 mt -78.48 -26.27 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.907 0.854 . . . . 0.0 109.319 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.0 t70 -61.98 -25.53 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.125 -175.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.0 p -87.65 -7.47 57.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.214 0.531 . . . . 0.0 111.447 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 m -89.11 57.64 4.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.215 -172.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -104.93 151.65 23.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.058 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.64 119.39 8.31 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.429 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 5.35 32.6 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.669 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -148.61 165.97 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.892 0.346 . . . . 0.0 110.315 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 53.46 39.47 30.01 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.85 -13.52 48.0 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.752 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 38.8 mt -82.48 127.45 70.7 Favored Pre-proline 0 N--CA 1.447 -0.575 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 33.7 Cg_exo -57.91 159.71 17.19 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.772 2.314 . . . . 0.0 112.427 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -76.71 141.79 69.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.757 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.07 122.97 12.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.221 1.947 . . . . 0.0 111.497 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -149.82 179.44 8.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.288 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 p -129.74 126.53 38.44 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.165 0.507 . . . . 0.0 110.925 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.2 p -80.31 177.0 9.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -55.01 -43.58 73.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.845 0.293 . . . . 0.0 111.642 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -88.08 -18.96 27.75 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.466 -0.493 . . . . 0.0 112.085 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.44 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 57.0 t -81.42 127.43 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.143 0.496 . . . . 0.0 110.419 -176.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -85.98 -43.49 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.516 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.68 143.47 1.71 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.711 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 87' ' ' SER . 11.1 ptp -159.8 140.52 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.539 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 16.5 m -126.92 148.44 50.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.68 112.56 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.98 110.82 9.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 0.0 110.617 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 59.4 mmtt 54.22 40.18 31.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.419 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.08 -24.52 6.06 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.06 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.69 136.64 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 80' ' ' SER . 29.3 m -133.44 122.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.515 0.674 . . . . 0.0 110.448 -175.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 4.6 p -101.67 126.25 48.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.847 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -102.93 126.96 50.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.882 -1.053 . . . . 0.0 108.253 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -121.33 135.21 55.12 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.867 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.15 39.52 42.27 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.358 -0.837 . . . . 0.0 113.662 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.44 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 20.5 tp60 -82.48 127.1 32.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -174.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 60.68 -141.27 0.54 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.22 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -63.74 -12.67 36.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 130' ' ' CYS . 49.5 mt -81.25 37.44 0.45 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 111.284 -171.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -54.73 132.84 46.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.67 -20.55 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.708 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.559 HD11 ' SG ' ' A' ' 130' ' ' CYS . 9.8 tt -87.82 143.28 27.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.201 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 18.8 m -128.96 125.07 36.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.995 176.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 87' ' ' SER . 63.7 t -100.24 130.48 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.11 104.81 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.902 0.382 . . . . 0.0 110.423 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.524 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 39.7 tpp -91.24 110.9 22.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.608 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.3 m -115.43 93.79 37.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.701 0.286 . . . . 0.0 111.398 -176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.446 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 38.0 Cg_endo -68.09 135.86 36.01 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.802 2.334 . . . . 0.0 112.603 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.776 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.681 176.758 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.444 -0.786 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.524 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 22.2 m-90 -109.91 122.28 47.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.747 0.273 . . . . 0.0 110.544 -178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.48 133.33 36.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.125 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtm-85 -115.86 142.07 47.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.928 0.394 . . . . 0.0 111.45 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -145.84 140.04 26.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.698 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.1 m -107.65 116.32 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.449 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -110.41 102.29 10.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.135 0.493 . . . . 0.0 109.77 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.6 tp -138.49 100.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.455 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -75.82 -34.9 60.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.8 p -95.93 -9.52 31.04 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -142.81 85.92 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -60.67 -28.02 68.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.633 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.3 85.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.947 0.403 . . . . 0.0 111.388 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.74 -32.1 70.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.126 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.54 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 51.4 tt0 -63.01 -40.75 98.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.187 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -54.2 -36.92 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.356 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.78 -48.34 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' HD11 ' A' ' 97' ' ' LEU . 20.7 p -70.88 -42.18 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.307 -175.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.4 -23.79 67.02 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.032 0.208 . . . . 0.0 110.947 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.2 -49.43 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.917 0.389 . . . . 0.0 110.423 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 33' ' ' LEU . 91.7 t -82.88 -46.51 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.27 0.557 . . . . 0.0 111.207 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -85.82 24.07 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.781 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 . . . . . 0 C--O 1.236 0.352 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.609 -170.183 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 31.0 p30 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -74.02 -40.79 62.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.442 -172.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.38 -34.3 74.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.207 0.527 . . . . 0.0 109.766 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.8 ttp180 -67.45 -33.5 75.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 176.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 65.5 mttm -56.6 -50.43 71.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.195 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.89 82.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -62.34 -45.63 92.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.606 . . . . 0.0 110.132 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.5 mt -67.85 -32.66 73.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.031 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.1 m -64.65 -36.98 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.82 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.04 -39.14 83.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.83 -39.84 95.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.063 176.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.69 -43.0 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.33 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -68.65 -27.48 66.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.529 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.597 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 41.8 m -75.27 -30.52 60.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.301 0.572 . . . . 0.0 110.059 173.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 101' ' ' MET . 39.4 t80 -70.31 -34.23 72.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.951 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 77.9 t -50.16 -50.79 67.75 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.597 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.2 Cg_exo -56.68 -31.8 88.71 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.968 1.779 . . . . 0.0 112.955 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.24 -31.55 62.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.46 0.647 . . . . 0.0 109.631 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 98.8 mtt180 -58.55 -36.15 73.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.615 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.9 m -52.01 -42.49 63.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.121 0.263 . . . . 0.0 111.207 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 110.065 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.15 -42.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.16 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 43.2 mt-10 -65.58 -39.74 91.96 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -58.98 -44.25 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.381 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.25 -52.82 60.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.127 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.644 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -55.52 -27.9 51.52 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.705 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.43 -39.18 22.97 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.092 -0.38 . . . . 0.0 111.413 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.71 -44.34 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.767 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -107.63 -13.73 14.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 110.941 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 65.73 -20.46 0.15 Allowed Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.442 -0.799 . . . . 0.0 114.079 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.65 145.74 16.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 119.668 -1.253 . . . . 0.0 113.079 164.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.602 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 31.7 mt -73.22 -3.51 27.17 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.021 0.528 . . . . 0.0 111.239 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 4.2 m-20 -48.89 -36.95 18.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.186 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -95.19 4.72 53.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 30.6 m -94.26 56.96 2.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.504 0.668 . . . . 0.0 109.691 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -104.1 137.58 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.791 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.09 102.68 1.19 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.573 -0.823 . . . . 0.0 111.623 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.8 0.25 7.17 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.765 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.2 p -148.1 169.59 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.899 0.35 . . . . 0.0 110.469 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 58.71 34.17 23.59 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.743 0.417 . . . . 0.0 112.121 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.07 -18.86 33.63 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.478 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.9 mt -81.36 126.1 77.34 Favored Pre-proline 0 N--CA 1.448 -0.563 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.3 147.31 47.15 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.431 2.087 . . . . 0.0 112.44 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.2 m -46.49 136.52 7.29 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.238 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.29 135.76 53.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.98 2.453 . . . . 0.0 112.177 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 t -133.8 174.7 10.17 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.401 HG22 HG12 ' A' ' 76' ' ' VAL . 32.4 p -128.82 126.51 40.0 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.024 0.44 . . . . 0.0 110.395 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.432 ' OG1' HG23 ' A' ' 76' ' ' VAL . 52.9 p -72.14 177.53 4.37 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -55.02 -42.92 73.2 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.254 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -86.82 -18.52 30.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 72.1 t -82.08 129.51 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.176 0.513 . . . . 0.0 110.428 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 t -89.31 -40.31 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.924 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.0 139.36 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.9 ptm -166.93 143.68 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.365 0.416 . . . . 0.0 110.597 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -137.47 153.58 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.21 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.0 116.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.071 -176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.437 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -133.73 111.66 10.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 34.5 mmtp 53.47 42.61 31.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.104 -177.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.96 -23.75 3.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-N 116.444 -0.343 . . . . 0.0 112.967 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 52.3 t -66.22 139.18 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.2 t -135.55 110.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.967 0.413 . . . . 0.0 109.903 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 9.0 t -105.15 132.29 51.55 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.331 0.586 . . . . 0.0 111.073 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.93 142.43 45.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 m -123.48 130.28 52.46 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.96 0.409 . . . . 0.0 111.683 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 49.66 46.27 38.5 Favored Glycine 0 C--N 1.332 0.314 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.709 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.541 ' NE2' ' HG3' ' A' ' 92' ' ' GLU . 46.4 tp60 -69.81 124.28 23.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.534 0.207 . . . . 0.0 110.92 -175.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.541 ' HG3' ' NE2' ' A' ' 91' ' ' GLN . 44.9 mt-10 46.02 -117.29 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.142 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 m -74.38 -14.34 60.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.588 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 58.4 mt -84.94 38.74 0.72 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.272 0.558 . . . . 0.0 110.364 -172.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.8 136.27 55.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.568 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.49 -18.94 16.28 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.659 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.5 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.7 tt -88.2 137.74 32.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 m -115.31 125.53 53.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.407 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 87' ' ' SER . 36.6 t -101.84 133.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.71 105.55 16.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.33 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 35.5 tpp -89.52 110.54 21.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 m -116.08 106.59 49.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.608 0.242 . . . . 0.0 111.513 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.33 140.35 69.97 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 123.039 2.492 . . . . 0.0 112.413 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.387 178.755 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.931 0 N-CA-C 112.143 -0.383 . . . . 0.0 112.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -116.77 128.73 55.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.79 124.8 33.99 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.491 ' HD2' ' HA ' ' A' ' 134' ' ' PHE . 65.7 mtm180 -109.4 140.88 42.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.812 -173.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -144.1 130.2 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.012 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 82.2 m -108.96 115.21 29.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -110.82 105.0 13.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.028 0.442 . . . . 0.0 110.871 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.66 104.48 4.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.357 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.29 -38.21 63.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -169.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.2 p -95.67 -8.81 33.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -139.89 88.41 2.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.743 -170.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 39.8 m -60.64 -26.66 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.212 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.6 98.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.65 -33.2 74.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 109.823 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.48 -39.62 94.92 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.302 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 124' ' ' SER . 27.3 mm-40 -59.62 -38.31 80.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.991 0.424 . . . . 0.0 110.889 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.87 -48.15 26.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.926 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.19 -52.54 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.394 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.5 tt0 -64.47 -22.82 67.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.042 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.42 -49.19 78.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 0.0 109.806 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.1 t -83.89 -48.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.518 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.601 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 92.7 m-85 -90.75 24.72 2.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.402 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 27.4 ptt180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.069 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -62.92 -40.02 96.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.534 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.76 -41.9 71.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.986 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 25.0 ttp180 -62.84 -40.18 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.24 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.67 -47.58 77.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.37 78.1 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.309 0.576 . . . . 0.0 110.132 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HB2' HG21 ' A' ' 133' ' ' VAL . 87.3 mt -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.474 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.499 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 86.9 m -64.56 -39.93 94.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.082 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.53 -38.67 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.974 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.878 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.64 -41.83 91.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 34' ' ' THR . 30.6 mm-40 -64.53 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.602 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.515 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 m -75.35 -22.72 57.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.465 0.65 . . . . 0.0 110.403 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 30.2 t80 -70.44 -34.17 72.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.846 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.584 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 98.0 t -54.38 -50.63 83.95 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.984 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 50.9 Cg_exo -56.22 -24.54 51.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.27 1.98 . . . . 0.0 113.109 173.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 30.5 m-85 -76.12 -39.45 55.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 5.7 mmp_? -58.27 -44.17 88.27 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.451 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD23 ' A' ' 49' ' ' LEU . 13.2 m -50.77 -39.61 52.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.74 78.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.532 0.682 . . . . 0.0 110.553 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.4 -48.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.058 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 64.1 mm-40 -65.13 -37.48 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.908 0.385 . . . . 0.0 110.516 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 45' ' ' THR . 4.2 mm? -66.71 -36.21 81.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.439 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.6 t -65.88 -47.59 74.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.826 173.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.452 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -57.32 -24.25 53.86 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.619 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 tp -82.74 -39.77 21.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.949 0.404 . . . . 0.0 110.804 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -43.25 86.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.896 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -107.4 -12.47 15.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.379 0.609 . . . . 0.0 110.216 -176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 70.86 -21.47 0.6 Allowed Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.179 -0.918 . . . . 0.0 113.044 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.53 152.76 17.33 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.859 163.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 50.6 mt -73.42 -3.38 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.845 0.458 . . . . 0.0 111.433 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 6.7 m-20 -49.66 -40.39 39.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.319 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 p -86.85 -5.71 59.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.108 0.48 . . . . 0.0 111.631 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 29.3 m -91.67 57.0 3.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.378 0.608 . . . . 0.0 110.346 -173.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.594 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t70 -112.59 151.82 29.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.013 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.67 93.0 0.45 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.08 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.18 3.73 3.85 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.119 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -148.37 158.49 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.373 0.586 . . . . 0.0 111.476 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.58 47.35 18.72 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.914 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.21 -19.06 37.21 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.958 175.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -92.41 117.69 67.74 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.69 165.19 33.43 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.435 2.09 . . . . 0.0 112.438 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -45.99 142.06 4.1 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.177 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.79 134.72 64.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.081 2.521 . . . . 0.0 111.888 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -139.38 -179.96 6.19 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.9 p -132.08 126.54 34.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.12 0.485 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -77.3 176.5 8.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.17 -44.54 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -168.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -97.98 10.54 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.804 -0.56 . . . . 0.0 112.295 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.68 132.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.847 0.356 . . . . 0.0 110.126 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 m -87.07 -45.63 10.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.07 134.2 1.23 Allowed 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.056 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.6 ptm -158.53 141.5 14.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.424 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.2 t -130.99 147.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.0 119.7 60.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.594 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -133.75 108.85 8.74 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.4 mmtp 48.58 49.21 18.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.668 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.75 -24.31 4.53 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.349 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -70.7 142.63 15.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 25.4 m -133.35 117.09 26.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.492 0.663 . . . . 0.0 110.596 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 79' ' ' MET . 13.5 p -104.78 128.88 53.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.486 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.28 149.82 38.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.277 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.6 m -137.57 141.84 41.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.18 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.02 41.7 22.14 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.311 -0.859 . . . . 0.0 113.901 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.516 HE21 ' HG2' ' A' ' 92' ' ' GLU . 27.2 tp60 -73.9 123.14 23.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.786 0.293 . . . . 0.0 110.551 -174.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HG2' HE21 ' A' ' 91' ' ' GLN . 21.8 mm-40 48.14 -120.92 1.31 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.741 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.6 t -74.89 -13.63 60.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 111.28 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 71.1 mt -81.44 39.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.261 0.553 . . . . 0.0 110.535 -174.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -57.1 134.34 55.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.13 -16.18 34.78 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.617 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.3 tt -96.24 135.33 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.32 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.2 t -114.7 135.25 54.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.808 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 46.4 t -112.02 124.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.91 108.81 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 52.2 tpp -94.21 110.35 22.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.6 m -114.46 105.4 53.78 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.118 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HB2' HD11 ' A' ' 57' ' ' LEU . 16.4 Cg_exo -67.83 131.68 24.73 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.512 2.142 . . . . 0.0 111.418 173.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.728 -178.719 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.619 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 6.0 m-90 -88.99 123.56 33.43 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -95.77 135.84 36.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.645 0.259 . . . . 0.0 110.753 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.62 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -108.49 142.06 39.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.45 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 47.3 t-20 -142.08 120.17 12.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.267 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.1 m -105.63 115.47 30.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.15 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.9 m120 -108.09 102.27 11.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.6 tp -137.14 106.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.693 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.94 -38.62 64.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.8 p -97.12 -22.64 16.64 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -169.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.531 ' H ' HG13 ' A' ' 120' ' ' ILE . 13.1 m-20 -129.43 96.29 4.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.2 t -61.0 -29.3 69.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.313 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.31 83.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.742 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.48 -36.27 80.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.269 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.591 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 45.2 tt0 -62.24 -44.44 96.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 53.3 mt-30 -57.59 -32.08 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.24 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.12 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.477 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 30.5 p -70.52 -48.13 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.381 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 10.3 pt-20 -63.03 -25.24 68.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.714 0.292 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 19.7 t70 -69.71 -43.3 72.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 33' ' ' LEU . 88.9 t -82.59 -43.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.189 0.518 . . . . 0.0 111.183 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.23 21.81 0.88 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.065 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 133' ' ' VAL . 6.1 ptm180 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.492 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 121.052 0.453 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 76.2 t80 -64.77 -36.37 84.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.05 -38.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 0.0 109.987 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HE ' ' HB2' ' A' ' 129' ' ' ALA . 44.2 ttp180 -67.82 -34.15 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.36 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 27' ' ' TYR . 66.0 mttm -57.87 -49.17 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.325 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' O ' ' HB ' ' A' ' 34' ' ' THR . . . -61.14 -26.35 67.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.826 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.56 96.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.101 0.477 . . . . 0.0 110.028 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 94' ' ' LEU . 1.7 mm? -68.23 -31.78 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.068 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 31' ' ' ALA . 69.8 m -58.31 -45.94 87.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.07 -38.31 85.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 tpt -66.75 -40.6 88.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.413 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.7 tp -63.02 -40.8 98.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.104 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' THR . 83.1 mm-40 -67.18 -23.31 65.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.041 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.602 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 46.7 m -75.46 -34.47 60.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -70.22 -34.81 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 60.5 t -46.91 -53.16 28.34 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.602 ' HD2' ' O ' ' A' ' 39' ' ' THR . 31.5 Cg_exo -58.52 -33.41 98.02 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 112.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 47' ' ' VAL . 82.2 m-85 -72.24 -27.23 62.38 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.7 mtm180 -55.72 -47.74 76.36 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.622 0.249 . . . . 0.0 110.399 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 49' ' ' LEU . 12.4 m -52.63 -42.16 64.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.372 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.81 86.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.688 0.756 . . . . 0.0 110.061 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 43' ' ' TYR . 73.0 t -63.56 -38.86 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.482 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 48.7 mt-10 -61.36 -43.09 99.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.978 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -61.26 -45.01 96.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.8 t -68.52 -36.13 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.788 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.17 76.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -81.94 -25.4 34.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.922 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.12 -44.57 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.035 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -109.41 -12.97 14.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.351 0.596 . . . . 0.0 110.787 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.16 -18.72 12.32 Favored Glycine 0 N--CA 1.454 -0.149 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.72 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.48 151.41 18.31 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.107 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.56 -2.43 22.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.958 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 30.5 t70 -52.2 -30.22 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 p -90.01 -3.87 57.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -89.43 67.93 7.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.436 0.636 . . . . 0.0 111.056 -174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -102.85 137.6 40.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.514 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.83 108.95 2.47 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.718 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.39 -3.42 18.21 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.128 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -135.47 167.03 21.83 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.682 -0.305 . . . . 0.0 110.703 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 55.92 37.42 28.83 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.25 -2.81 60.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.689 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 56.4 mt -87.29 128.68 54.36 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 31.2 Cg_exo -59.88 164.44 11.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.749 2.299 . . . . 0.0 112.34 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -84.37 147.93 51.29 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.471 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.456 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 28.1 Cg_endo -62.71 124.55 14.31 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.85 1.7 . . . . 0.0 111.512 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -136.61 169.52 17.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.4 p -118.56 124.25 47.04 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.171 0.51 . . . . 0.0 110.518 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -82.02 177.99 8.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.374 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -53.58 -42.82 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -174.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.517 ' HB3' ' HG3' ' A' ' 92' ' ' GLU . 31.6 m-85 -92.53 -16.04 26.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.14 122.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 122.012 -0.43 . . . . 0.0 110.434 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -86.08 -31.02 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -162.39 145.31 11.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.973 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 87' ' ' SER . 4.8 ppp? -170.19 142.78 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.725 0.64 . . . . 0.0 110.151 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 70' ' ' PRO . 17.8 t -144.21 155.32 43.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.598 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 HG12 ' A' ' 86' ' ' VAL . 22.1 t -114.8 117.05 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.751 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.95 110.94 11.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.136 0.493 . . . . 0.0 110.31 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 31.4 mmtp 51.84 44.65 29.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.948 -178.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.41 -24.93 3.97 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.312 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.23 141.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.441 HG12 HG22 ' A' ' 81' ' ' VAL . 22.0 m -133.2 113.89 20.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.473 0.654 . . . . 0.0 110.487 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 79' ' ' MET . 21.1 t -104.12 123.02 46.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.812 177.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.59 158.19 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.128 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.469 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 15.9 m -144.8 146.04 31.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.681 0.276 . . . . 0.0 110.806 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.47 47.92 55.96 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.261 -0.881 . . . . 0.0 115.09 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 122.86 21.07 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 34.8 mt-10 43.03 -115.39 0.36 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -175.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 m -74.18 -13.65 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.459 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 33' ' ' LEU . 58.6 mt -85.19 38.54 0.73 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.087 -171.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.47 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 7.6 p30 -55.16 139.15 42.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.84 -23.87 5.55 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.971 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 10.0 tt -80.22 132.4 35.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 m -114.8 132.36 56.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.184 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.79 126.36 64.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.23 105.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.524 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 45.4 ttm -101.6 114.64 28.86 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.075 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 11.4 m -107.4 93.14 9.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.191 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 101' ' ' MET . 19.0 Cg_exo -65.81 145.75 81.53 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.588 2.192 . . . . 0.0 111.687 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.918 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.642 176.313 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.695 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -132.97 122.8 24.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.943 0.371 . . . . 0.0 110.532 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -90.45 113.01 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -110.0 121.01 44.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -118.62 121.02 39.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.525 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 72.3 m -103.69 116.21 31.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -118.98 104.36 10.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.58 100.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.28 -38.29 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -167.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 t -89.7 -23.3 21.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -132.34 92.56 3.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.8 m -61.33 -27.59 68.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.708 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.68 76.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.068 0.461 . . . . 0.0 111.337 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.54 -32.94 70.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 109.833 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.44 -37.22 86.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.652 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -54.37 -36.15 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.293 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.407 ' HB2' ' HE ' ' A' ' 29' ' ' ARG . . . -75.17 -47.04 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.33 -52.16 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.029 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 29.4 tt0 -61.15 -25.85 67.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.509 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.71 -52.12 66.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.911 0.386 . . . . 0.0 110.62 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.64 -46.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.325 -178.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.477 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 96.0 m-85 -87.22 22.63 2.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.209 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 16.0 ptp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.593 -175.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 120.98 0.419 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -62.03 -33.94 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 -174.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.1 -41.44 86.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.3 ttm180 -66.94 -38.57 86.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.108 176.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.92 -44.41 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.127 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.55 74.81 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.06 81.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.459 0.647 . . . . 0.0 109.595 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.2 mt -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.79 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -69.59 -37.6 76.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.25 -46.6 83.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.311 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 20.1 ptm -67.09 -35.56 80.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.111 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.5 tp -63.56 -42.24 98.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.294 175.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -65.64 -22.95 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.403 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.568 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.8 m -73.83 -37.28 64.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.399 0.618 . . . . 0.0 109.919 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 37.0 t80 -70.89 -34.34 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.233 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.0 t -47.23 -52.61 33.96 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 39' ' ' THR . 40.3 Cg_exo -58.32 -36.02 98.09 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.826 1.684 . . . . 0.0 112.39 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.466 ' O ' HG23 ' A' ' 47' ' ' VAL . 52.5 m-85 -68.51 -28.04 66.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.982 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.553 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 52.6 mtm180 -58.24 -46.24 86.29 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.496 ' O ' HD23 ' A' ' 49' ' ' LEU . 30.9 m -53.32 -44.1 68.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.454 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.24 85.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.424 0.63 . . . . 0.0 110.183 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 43' ' ' TYR . 76.4 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.98 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.0 -41.25 97.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.473 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -65.22 -41.77 94.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.417 ' SG ' HG23 ' A' ' 59' ' ' THR . 27.8 t -63.55 -50.65 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.991 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.15 -30.56 49.57 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.931 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -26.47 59.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.999 0.428 . . . . 0.0 110.784 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.66 -46.38 69.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -110.29 -12.48 14.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.131 0.491 . . . . 0.0 111.298 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 -19.94 12.8 Favored Glycine 0 C--N 1.321 -0.253 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.057 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.37 159.68 18.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.321 -0.942 . . . . 0.0 113.215 165.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 103' ' ' PRO . 44.2 mt -74.04 -2.81 25.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.419 0.688 . . . . 0.0 112.329 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.99 -38.39 36.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 ' SG ' ' A' ' 50' ' ' CYS . 8.9 t -82.31 -3.21 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 36.7 m -97.72 60.8 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.273 0.558 . . . . 0.0 110.953 -174.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.96 143.15 42.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.987 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.32 118.54 11.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.235 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.84 16.62 47.58 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.411 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.8 t -135.1 147.05 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 m120 54.55 38.5 29.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.12 -10.41 53.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.764 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 67.1 mt -71.67 131.55 86.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 45.7 Cg_exo -57.64 169.39 2.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.995 2.463 . . . . 0.0 112.866 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 p -91.47 152.01 43.18 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.302 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -49.03 124.81 12.07 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.804 2.336 . . . . 0.0 111.646 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.9 t -143.31 171.35 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.973 -172.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.415 HG22 HG12 ' A' ' 76' ' ' VAL . 26.0 p -138.04 144.71 41.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.112 0.482 . . . . 0.0 110.837 -177.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 p -88.54 177.89 6.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -53.37 -41.81 66.23 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -171.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.4 25.06 10.07 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.133 -0.354 . . . . 0.0 111.799 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.417 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 93.3 t -116.88 131.82 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 109.947 174.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 m -82.65 -52.28 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.741 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.46 140.15 9.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.86 -0.155 . . . . 0.0 110.87 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.1 mtp -141.3 140.83 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.087 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 55.3 m -130.92 136.91 49.02 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.98 118.65 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.28 109.67 6.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.114 0.483 . . . . 0.0 110.117 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 49.6 48.62 21.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.039 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.81 -24.38 3.87 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.468 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.16 130.69 35.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.6 m -127.91 120.12 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.551 0.691 . . . . 0.0 110.364 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 36.1 t -104.26 130.93 52.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.743 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 135.06 54.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.686 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 m -121.08 139.0 53.92 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.912 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.66 46.51 30.57 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.861 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.505 HE21 ' HG2' ' A' ' 92' ' ' GLU . 32.1 tp60 -76.83 125.2 28.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.688 0.244 . . . . 0.0 110.903 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.505 ' HG2' HE21 ' A' ' 91' ' ' GLN . 17.5 mm-40 50.47 -125.11 2.22 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.532 0.333 . . . . 0.0 111.473 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -71.01 -13.81 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.385 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' ' 126' ' ' LEU . 53.5 mt -85.08 38.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.483 -172.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -53.38 132.38 39.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.653 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.67 -21.53 22.01 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.635 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.4 tt -86.28 130.94 34.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.2 m -113.43 120.96 42.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 87' ' ' SER . 30.7 t -92.47 129.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.35 105.07 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.467 ' HG2' ' CE2' ' A' ' 40' ' ' PHE . 40.1 tpp -94.72 110.84 22.64 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 35.6 m -112.02 96.06 32.42 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.947 0.403 . . . . 0.0 110.957 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 101' ' ' MET . 16.5 Cg_exo -67.55 160.69 46.84 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.952 2.435 . . . . 0.0 112.098 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.673 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.898 175.401 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.553 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 17.7 m-90 -121.01 123.22 41.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.226 0.513 . . . . 0.0 111.663 -175.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -89.26 113.63 24.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.458 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 80.8 mtm180 -109.95 131.42 55.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.571 -174.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -144.49 132.61 21.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.84 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.2 m -104.96 116.44 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.922 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -105.36 103.83 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.9 tp -136.26 105.33 4.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.644 174.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -74.09 -40.65 62.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.4 t -108.82 15.42 23.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -170.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.496 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 9.8 m-20 -147.95 82.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.114 -0.366 . . . . 0.0 111.472 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.63 -31.47 70.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.119 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.45 96.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 0.0 111.17 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 94' ' ' LEU . 90.1 mt -67.81 -32.45 73.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.14 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 60.1 tt0 -65.32 -45.2 85.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.315 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -52.78 -41.22 63.9 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.234 0.334 . . . . 0.0 111.806 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.75 -46.97 33.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.084 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.35 -52.27 54.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 3.7 pt-20 -65.12 -23.65 67.2 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.862 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.83 -43.08 76.28 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.778 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -83.33 -47.21 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.442 0.639 . . . . 0.0 111.172 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -87.01 26.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.875 0.87 . . . . 0.0 110.99 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 18.4 ptp180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 122.028 0.918 . . . . 0.0 113.256 -169.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -66.02 -36.08 82.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.93 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.38 -40.74 81.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.052 0.453 . . . . 0.0 109.785 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.3 ttm180 -66.58 -38.83 87.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.925 174.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -56.97 -49.34 76.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.578 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.73 -38.52 75.46 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.559 0.219 . . . . 0.0 111.56 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.77 86.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 73.5 mt -68.28 -38.97 82.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.088 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 34.5 m -65.25 -38.76 91.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.67 -39.53 84.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.7 tpt -61.52 -41.91 98.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.3 tm? -62.63 -47.24 84.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.594 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.1 mm-40 -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.6 m -75.42 -28.45 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.35 0.595 . . . . 0.0 110.7 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 9.3 t80 -71.1 -34.89 71.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.232 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.6 t -53.72 -48.61 92.77 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.527 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 64.9 Cg_exo -53.33 -28.97 45.65 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.319 2.013 . . . . 0.0 113.087 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -75.69 -39.8 56.88 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.594 0.711 . . . . 0.0 109.147 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 18.4 mmm180 -60.28 -40.87 91.95 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.873 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 49' ' ' LEU . 26.1 m -51.64 -42.18 61.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.73 92.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.594 0.711 . . . . 0.0 110.295 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.76 -40.05 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 70.1 mm-40 -66.61 -34.75 78.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.944 0.402 . . . . 0.0 110.28 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 45' ' ' THR . 2.9 mm? -66.18 -45.37 81.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.808 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 p -70.0 -36.13 74.9 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.729 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.79 65.19 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.483 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.19 -31.42 38.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.37 -33.99 76.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.983 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -108.97 -12.95 14.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.4 0.619 . . . . 0.0 110.317 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.24 -19.42 5.6 Favored Glycine 0 CA--C 1.52 0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.828 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.26 151.5 17.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.215 162.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.75 -2.19 22.34 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 111.598 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 20.2 t70 -48.1 -35.26 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -76.22 -10.6 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -93.38 69.25 4.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.375 0.607 . . . . 0.0 110.846 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.27 131.3 46.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.398 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.69 88.18 0.36 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.372 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.67 -1.61 4.37 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.468 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -140.65 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.901 0.351 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 54.67 39.3 31.18 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.89 20.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.73 121.45 81.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -77.03 149.48 28.75 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.051 1.834 . . . . 0.0 112.265 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -45.55 136.95 5.62 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HG3' ' HA ' ' A' ' 80' ' ' SER . 9.1 Cg_endo -50.17 123.7 11.5 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.264 2.643 . . . . 0.0 112.515 -172.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -95.04 128.58 41.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.305 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.41 HG22 HG12 ' A' ' 76' ' ' VAL . 22.2 p -103.28 127.08 50.71 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.219 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.555 ' OG1' HG23 ' A' ' 76' ' ' VAL . 28.4 p -80.14 177.44 8.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.301 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.604 ' H ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -53.84 -35.14 61.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -95.71 -14.92 23.0 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.555 HG23 ' OG1' ' A' ' 73' ' ' THR . 88.7 t -81.46 122.92 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.475 0.655 . . . . 0.0 110.219 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -86.32 -43.35 12.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.299 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -168.94 139.69 2.39 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.221 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.4 ptm -165.9 140.59 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.827 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 37.2 m -131.14 149.79 52.43 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.03 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.4 109.28 10.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.034 0.445 . . . . 0.0 109.959 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 72.5 mmtt 51.37 43.11 29.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.852 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.13 -24.2 4.85 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.421 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.79 137.17 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 80' ' ' SER . 59.5 t -134.12 115.15 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.979 0.418 . . . . 0.0 110.204 -173.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 13.9 m -103.0 122.55 44.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.754 176.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mp -115.54 119.4 36.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.175 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.0 m -114.82 143.7 44.68 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.915 0.388 . . . . 0.0 111.881 -172.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 49.5 44.39 36.81 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 114.982 -1.008 . . . . 0.0 114.111 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -86.5 127.44 34.87 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 60.74 -139.4 0.57 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.4 m -65.9 -13.15 59.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.872 0.367 . . . . 0.0 111.474 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.6 mt -82.11 39.1 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.164 -171.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.414 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 54.5 t30 -55.36 135.89 49.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.33 -15.65 33.36 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.716 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -91.33 137.3 32.47 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -123.63 121.24 35.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.843 0.354 . . . . 0.0 110.094 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 87' ' ' SER . 50.4 t -91.34 130.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.45 103.62 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.597 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 17.2 ttt -96.02 110.38 22.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.283 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.0 m -107.53 94.2 11.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.294 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 114' ' ' TRP . 81.8 Cg_endo -77.88 162.41 29.49 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.402 2.735 . . . . 0.0 113.514 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.217 174.745 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.501 ' HB3' ' HE2' ' A' ' 101' ' ' MET . 19.8 m-90 -142.35 122.07 13.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.29 112.8 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -110.42 131.92 54.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.977 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 16.7 t-20 -142.03 134.05 27.45 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.655 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 85.0 m -102.79 116.08 31.87 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -107.24 104.4 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.883 0.373 . . . . 0.0 110.503 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.495 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 6.1 tp -136.17 102.08 2.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.356 0.598 . . . . 0.0 109.583 174.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -73.55 -38.37 65.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -167.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.9 p -99.99 -2.98 33.13 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -171.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.495 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.4 m-20 -139.84 83.53 1.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.737 -171.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 m -60.6 -28.42 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.37 85.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 94' ' ' LEU . 86.3 mt -70.36 -35.65 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.26 -43.12 99.55 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.814 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -50.39 63.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 0.0 110.386 -176.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.52 -40.32 70.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.348 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.72 -47.46 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.756 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.85 -25.47 65.06 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.484 0.714 . . . . 0.0 110.884 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -69.21 -50.84 43.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.008 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.7 -47.93 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.46 0.648 . . . . 0.0 111.586 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.448 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.6 m-85 -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 110.856 -176.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 135' ' ' ARG . 13.1 ptt-85 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 114.864 -1.062 . . . . 0.0 113.285 -173.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.1 m120 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.17 -38.51 83.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.592 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.32 -46.37 90.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.186 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.571 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.4 ttp180 -67.85 -36.3 80.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.773 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 95.3 mttt -59.73 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.29 -37.66 72.76 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.42 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.43 0.633 . . . . 0.0 109.708 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 59.6 mt -68.73 -31.95 71.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.888 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 76.5 m -65.11 -42.61 93.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.38 -36.52 84.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.0 0.428 . . . . 0.0 110.395 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' HG22 ' A' ' 76' ' ' VAL . 14.1 tpt -65.79 -41.86 91.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.051 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -60.0 -42.87 95.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.199 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 33.2 mm-40 -61.29 -34.28 74.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 178.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.613 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.2 m -74.97 -29.55 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.194 0.521 . . . . 0.0 110.669 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 26.2 t80 -70.32 -33.7 71.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.597 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.1 t -45.95 -52.63 25.19 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' A' ' 39' ' ' THR . 42.7 Cg_exo -56.79 -42.9 59.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.773 1.649 . . . . 0.0 112.342 176.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 47' ' ' VAL . 58.3 m-85 -58.63 -36.62 74.36 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -55.75 -51.29 67.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.468 ' O ' HD23 ' A' ' 49' ' ' LEU . 33.2 m -52.29 -43.57 64.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.33 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.96 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.077 0.465 . . . . 0.0 110.58 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 43' ' ' TYR . 70.6 t -64.58 -39.48 85.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.462 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.38 -38.13 84.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.006 0.432 . . . . 0.0 110.205 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -67.11 -45.68 76.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.502 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 27.6 p -72.06 -23.54 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.45 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 57' ' ' LEU . . . -71.07 -45.74 63.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.45 -27.61 62.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.54 -46.68 88.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -108.83 -12.65 14.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.437 0.637 . . . . 0.0 110.647 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.22 -20.07 3.36 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.193 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.09 145.24 18.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.262 -0.97 . . . . 0.0 112.818 163.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 51' ' ' ALA . 36.0 mt -73.84 -3.07 26.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.796 0.438 . . . . 0.0 111.567 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 7.8 m-20 -48.53 -35.0 12.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.234 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.58 1.23 55.64 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.3 t -97.06 70.11 2.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.458 0.647 . . . . 0.0 109.481 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.511 ' OD1' ' HA ' ' A' ' 82' ' ' ALA . 17.7 t70 -114.01 147.29 38.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.077 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA3' ' HD3' ' A' ' 70' ' ' PRO . . . -63.82 103.55 0.72 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.077 -0.511 . . . . 0.0 113.082 -175.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.08 17.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.07 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 p -143.14 161.13 39.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.025 0.413 . . . . 0.0 110.402 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 53.55 33.0 15.3 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.75 5.24 86.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.873 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.14 126.18 70.56 Favored Pre-proline 0 N--CA 1.449 -0.475 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.38 163.34 12.72 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.643 2.229 . . . . 0.0 112.937 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -87.26 128.99 53.24 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.053 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 62' ' ' GLY . 12.1 Cg_endo -54.05 125.7 19.63 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.123 2.548 . . . . 0.0 112.113 -175.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -143.19 -177.67 5.47 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.037 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 HG12 ' A' ' 76' ' ' VAL . 36.5 p -131.22 125.93 34.22 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.207 0.527 . . . . 0.0 111.282 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -81.17 178.37 8.44 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 171.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -52.97 -43.51 66.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -171.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -102.06 27.83 6.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.567 HG12 HG22 ' A' ' 72' ' ' THR . 91.1 t -115.69 129.91 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 m -88.08 -44.8 10.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.17 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.05 149.81 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.4 ptp -163.3 143.24 8.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.706 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 m -135.77 134.66 39.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.809 174.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -103.25 116.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.511 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . . . -132.85 110.59 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 30.0 mmtp 52.91 44.44 30.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.83 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.44 -24.7 3.53 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.089 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 56.0 t -66.45 142.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.67 109.5 17.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -104.86 127.76 52.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.026 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.84 148.97 37.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.116 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.4 m -123.65 128.78 50.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.979 0.419 . . . . 0.0 111.434 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 51.24 48.06 48.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.011 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.427 HE21 ' HG2' ' A' ' 92' ' ' GLU . 29.6 tp60 -72.58 126.16 29.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.695 0.283 . . . . 0.0 110.621 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.427 ' HG2' HE21 ' A' ' 91' ' ' GLN . 19.6 mm-40 55.76 -138.39 1.04 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -64.48 -13.92 54.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.413 . . . . 0.0 111.405 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.52 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.0 mt -83.29 38.88 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 110.502 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -54.75 137.45 44.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.194 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.91 -25.49 9.79 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.817 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 118' ' ' CYS . 51.1 tp -75.04 125.7 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.897 0.38 . . . . 0.0 111.127 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t -101.33 111.96 24.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.629 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.521 HG22 ' SG ' ' A' ' 118' ' ' CYS . 31.9 t -99.11 122.46 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.5 t -114.74 102.55 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.956 0.407 . . . . 0.0 110.209 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 40' ' ' PHE . 57.2 tpp -86.03 110.53 19.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 m -112.9 98.78 46.43 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.374 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.46 129.16 15.4 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.292 1.995 . . . . 0.0 110.784 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.662 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.132 -178.299 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -102.84 129.17 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 111.614 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.75 133.39 44.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.397 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 3.2 mpt_? -109.88 139.16 45.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 -176.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -144.38 112.96 6.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.479 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.554 ' HB3' HD11 ' A' ' 97' ' ' LEU . 3.7 m -103.94 116.58 32.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.3 102.89 12.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.418 ' HB ' HD13 ' A' ' 97' ' ' LEU . 6.5 tp -138.08 100.67 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.326 0.584 . . . . 0.0 109.643 173.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER -73.44 -38.6 65.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -169.396 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.7 p -87.89 -23.08 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.76 84.25 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.7 0.286 . . . . 0.0 111.701 -170.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 64.9 m -60.66 -22.59 64.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.92 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.68 75.8 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 94' ' ' LEU . 49.9 mt -68.6 -38.17 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -65.01 -38.68 91.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 124' ' ' SER . 87.2 mm-40 -55.22 -44.08 75.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.28 73.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 1.7 t -62.86 -44.86 95.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 25.9 tt0 -55.75 -27.79 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.524 -178.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.98 -55.57 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.583 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.43 -49.49 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.645 0.736 . . . . 0.0 111.698 -175.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.465 ' HB2' ' SG ' ' A' ' 130' ' ' CYS . 87.4 m-85 -87.13 24.7 1.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.251 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 23.5 ptt180 . . . . . 0 C--O 1.238 0.461 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.985 -173.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 90.4 m-20 . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 120.557 0.217 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -58.44 -49.13 78.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.918 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.33 -37.6 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.8 ttm180 -67.56 -34.0 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.677 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 31.2 mmtp -55.28 -50.31 69.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.204 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.81 95.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.349 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -59.73 -45.23 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.219 0.533 . . . . 0.0 110.552 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 78.1 mt -65.74 -34.0 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.9 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -67.71 -36.99 81.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.264 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -67.4 -39.77 85.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.115 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.89 -40.75 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . 28.7 tp -63.47 -45.3 91.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.398 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.33 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.614 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 40.5 m -75.35 -31.08 60.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 110.485 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 45.9 t80 -71.12 -34.33 70.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.865 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.4 t -46.24 -52.84 25.99 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.614 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.9 Cg_exo -58.61 -30.24 91.5 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.889 1.726 . . . . 0.0 112.936 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -75.15 -26.06 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.687 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.6 mtm180 -59.65 -35.87 75.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.347 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' HD23 ' A' ' 49' ' ' LEU . 14.5 m -51.01 -36.99 42.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.794 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.52 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.675 0.75 . . . . 0.0 110.312 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.08 -42.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.333 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 45.0 mm-40 -65.03 -41.65 95.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.788 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -61.14 -40.02 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.637 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.23 -49.03 77.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.525 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -62.16 -20.48 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.001 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 85.4 mt -82.85 -50.28 8.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.238 . . . . 0.0 111.486 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.27 -36.61 63.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.27 -171.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -103.0 -12.98 17.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.405 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.0 -21.07 0.2 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.99 -1.005 . . . . 0.0 114.376 177.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.02 144.54 16.17 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 119.442 -1.361 . . . . 0.0 113.162 164.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.711 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 4.1 mt -75.06 -5.25 43.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 9.0 m-20 -57.45 -32.19 66.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.147 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.7 p -83.91 -7.97 59.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.209 0.528 . . . . 0.0 111.419 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.711 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 56.1 m -86.61 67.28 9.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.334 0.588 . . . . 0.0 110.967 -172.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -109.43 140.45 43.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.5 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.15 118.22 12.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.969 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.64 4.2 43.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.716 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.4 p -145.36 168.11 21.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.98 0.39 . . . . 0.0 110.947 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 54.66 37.02 27.45 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.881 0.472 . . . . 0.0 112.157 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.19 -8.12 72.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.936 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mt -85.6 131.09 48.67 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.84 168.07 4.73 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.848 2.365 . . . . 0.0 112.477 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -73.61 139.57 77.84 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.025 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.58 123.32 12.5 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.096 1.864 . . . . 0.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p -145.35 -177.47 5.57 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.069 -175.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 23.4 p -131.38 127.16 36.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.0 p -71.7 177.34 4.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.334 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -54.51 -43.28 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.45 -17.1 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 55.2 t -81.67 131.2 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.091 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -40.32 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.015 -172.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.35 143.94 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.203 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' O ' ' A' ' 87' ' ' SER . 10.4 ptp -164.55 140.37 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.131 0.491 . . . . 0.0 110.422 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 20.3 m -131.37 141.76 49.94 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.395 177.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.13 119.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.73 109.37 7.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.0 mmtp 53.93 39.72 30.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.906 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.15 -24.44 5.41 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.067 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 101' ' ' MET . 40.3 t -70.79 132.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.566 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.3 m -129.04 122.78 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.46 0.647 . . . . 0.0 110.6 -175.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.2 m -103.78 125.06 49.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.057 176.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.68 116.91 28.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.299 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.2 m -106.75 144.06 33.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.881 0.372 . . . . 0.0 111.352 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 50.13 46.05 42.8 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.008 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 27.7 tp60 -83.81 126.0 32.51 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HB3' ' H ' ' A' ' 93' ' ' SER . 19.2 mm-40 57.48 -143.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.89 -0.141 . . . . 0.0 110.734 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.439 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 17.8 t -63.15 -13.04 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.398 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 60.0 mt -79.98 38.42 0.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.022 0.439 . . . . 0.0 110.925 -174.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.437 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 58.0 t30 -52.59 132.65 35.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.576 175.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.27 -22.25 20.53 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.354 -0.45 . . . . 0.0 112.504 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.0 tt -86.28 133.5 33.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.851 0.357 . . . . 0.0 110.236 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m -112.32 118.81 36.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.09 126.62 42.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.57 114.03 42.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.53 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 52.7 ttp -99.77 114.89 28.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.638 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 m -108.74 93.1 11.48 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.542 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 29.9 Cg_endo -66.69 129.99 22.36 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.873 1.715 . . . . 0.0 111.239 172.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -177.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.897 0 N-CA-C 112.128 -0.389 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -129.35 124.28 33.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -89.97 135.71 33.48 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 134' ' ' PHE . 29.6 mmt180 -114.0 141.19 47.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.006 0.432 . . . . 0.0 111.931 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -145.69 137.84 25.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.462 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.7 m -114.92 115.04 26.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -109.52 103.37 12.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.533 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 127' ' ' GLN . 5.6 tp -138.08 96.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.221 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -75.17 -26.77 59.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -166.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.5 p -100.33 -10.45 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.418 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.8 m-20 -138.19 85.44 2.1 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.135 -0.353 . . . . 0.0 111.628 -170.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.6 m -61.05 -26.74 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.22 93.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.003 0.43 . . . . 0.0 111.031 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.59 -37.13 79.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.139 0.495 . . . . 0.0 109.79 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 120' ' ' ILE . 34.8 tt0 -62.06 -42.77 99.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.129 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -54.34 -41.73 69.41 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.676 0.61 . . . . 0.0 111.209 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.41 43.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.56 -46.05 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.77 -22.39 64.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.79 -53.32 28.06 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.153 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.17 -48.17 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.342 0.592 . . . . 0.0 111.134 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 97.6 m-85 -89.25 26.35 1.66 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.781 -176.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.127 -172.471 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 91.1 m-20 . . . . . 0 C--O 1.225 -0.227 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -59.5 -49.73 76.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.897 -172.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.16 -38.65 78.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 93' ' ' SER . 20.1 ttp180 -65.85 -32.74 74.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.547 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 67.8 mttm -58.02 -49.49 76.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.406 176.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.9 85.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.92 98.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.301 0.572 . . . . 0.0 110.028 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.55 -40.46 80.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.289 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 59.4 m -63.83 -41.05 97.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.577 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.15 -36.08 77.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.531 ' SD ' HG22 ' A' ' 76' ' ' VAL . 11.2 tpt -64.14 -43.0 96.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.986 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.28 -38.36 83.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 0.0 110.103 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 34' ' ' THR . 32.7 mm-40 -68.15 -29.92 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.79 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.636 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.7 m -75.27 -29.81 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 110.266 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 24.1 t80 -66.79 -33.71 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.691 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.604 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 76.3 t -47.61 -54.37 23.33 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.636 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.5 Cg_exo -55.77 -30.25 75.37 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.128 1.886 . . . . 0.0 113.078 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -74.64 -33.16 62.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.313 0.578 . . . . 0.0 109.634 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.4 mtm180 -59.76 -39.38 84.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.518 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 24.8 m -53.73 -38.48 64.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.392 0.433 . . . . 0.0 111.457 176.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.12 78.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.433 0.635 . . . . 0.0 109.989 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.627 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 92.5 t -62.1 -39.24 83.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.788 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 5.8 mm-40 -58.12 -40.72 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 109.827 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 45' ' ' THR . 86.2 mt -65.0 -45.99 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.059 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 19.9 p -77.7 -24.78 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.221 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.93 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 110.773 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -79.74 -15.58 57.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.023 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.71 -44.74 96.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.488 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -109.38 -13.47 14.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.198 0.523 . . . . 0.0 110.434 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.33 -20.11 11.73 Favored Glycine 0 CA--C 1.516 0.155 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.22 161.27 12.78 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.103 -0.549 . . . . 0.0 111.747 160.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 103' ' ' PRO . 73.2 mt -73.44 -3.79 29.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.509 0.324 . . . . 0.0 111.867 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 24.1 t70 -50.05 -36.17 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.7 p -88.49 15.22 8.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 32.4 t -116.07 74.61 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.306 0.574 . . . . 0.0 111.386 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HB2' ' OG ' ' A' ' 64' ' ' SER . 13.7 m-20 -121.42 137.32 54.76 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.86 109.19 2.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.16 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.65 3.02 28.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.882 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 61' ' ' ASP . 88.7 p -127.35 158.71 36.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 53.84 30.08 10.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.76 9.61 70.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.851 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 76.9 mt -77.29 131.03 73.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.18 169.95 2.56 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.899 2.399 . . . . 0.0 112.616 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -91.72 138.66 24.94 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.417 ' HB3' HG23 ' A' ' 81' ' ' VAL . 10.8 Cg_endo -54.45 123.76 14.41 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.413 2.075 . . . . 0.0 111.558 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 t -112.59 170.22 8.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.588 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 67.2 p -131.88 125.51 31.92 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.699 0.285 . . . . 0.0 110.251 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 p -78.96 178.08 8.28 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -53.42 -44.09 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.3 -5.42 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG13 HE22 ' A' ' 91' ' ' GLN . 58.5 t -95.13 119.73 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 m -78.56 -47.76 16.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.697 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.88 152.71 6.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.522 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 ptm -172.47 141.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.667 0.605 . . . . 0.0 110.433 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 m -131.14 138.68 49.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.103 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 70' ' ' PRO . 47.2 t -97.19 114.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.704 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -131.47 110.21 10.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.087 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 73.6 mmtt 49.85 46.75 23.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.167 -175.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.419 ' HA3' HD22 ' A' ' 57' ' ' LEU . . . 76.25 -24.91 1.65 Allowed Glycine 0 N--CA 1.465 0.59 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.064 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.503 HG22 HG23 ' A' ' 102' ' ' THR . 54.3 t -66.44 141.03 18.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 80' ' ' SER . 30.3 m -129.88 118.94 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.496 0.665 . . . . 0.0 109.609 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.4 m -101.37 123.77 45.98 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.82 148.79 35.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.302 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.2 m -131.61 128.19 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.42 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 55.48 46.65 80.21 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.052 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.607 HE22 HG13 ' A' ' 76' ' ' VAL . 6.3 tp-100 -70.27 125.81 27.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.4 0.143 . . . . 0.0 110.627 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 50.07 -122.42 1.83 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.414 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.458 ' HB2' ' HD3' ' A' ' 29' ' ' ARG . 6.9 m -74.76 -12.79 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.735 0.414 . . . . 0.0 111.689 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 75.8 mt -83.05 39.87 0.67 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.038 -171.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -56.02 136.26 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.3 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.16 -12.91 52.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.551 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 119' ' ' ASN . 8.4 tt -99.6 131.09 45.83 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -110.95 128.4 55.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.963 0.411 . . . . 0.0 109.962 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.38 128.81 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.574 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.34 102.93 14.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.591 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 43.6 tpp -93.94 111.89 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.198 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.503 HG23 HG22 ' A' ' 85' ' ' VAL . 87.3 m -112.96 99.23 47.97 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.437 ' HB2' HD11 ' A' ' 57' ' ' LEU . 31.7 Cg_exo -58.05 134.48 62.43 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.46 2.106 . . . . 0.0 111.298 174.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.943 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 -176.309 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 112.2 -0.36 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.488 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 26.8 m-90 -126.19 123.89 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.261 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.65 121.83 32.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.825 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.591 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 1.2 mpt_? -109.13 150.29 28.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.04 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -145.43 118.32 8.75 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 79.1 m -102.65 116.37 32.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 16.8 m120 -110.59 103.16 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.028 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 120' ' ' ILE . 6.0 tp -137.0 96.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.381 0.61 . . . . 0.0 109.747 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -73.17 -36.37 66.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.2 m -99.44 15.48 26.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD2' ' HG ' ' A' ' 126' ' ' LEU . 18.0 t70 -161.8 99.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.366 -0.533 . . . . 0.0 111.669 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 15.6 m -61.79 -26.96 68.42 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.056 178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.77 80.85 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.534 ' HG ' ' OD2' ' A' ' 123' ' ' ASP . 85.0 mt -60.17 -36.48 77.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.273 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -67.59 -41.35 84.23 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 124' ' ' SER . 90.5 mm-40 -53.91 -43.41 69.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.672 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -47.57 34.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.258 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.91 -50.19 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.55 -26.25 68.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.462 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.0 -50.85 37.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.589 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.01 -43.05 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.598 0.713 . . . . 0.0 110.829 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 96.7 m-85 -86.63 25.05 1.31 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.398 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.428 -173.57 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.002 0.429 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -61.2 -34.65 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.687 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.01 -44.97 78.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.335 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.5 ttp180 -65.04 -36.44 84.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.268 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 129' ' ' ALA . 33.2 mmtp -58.14 -50.45 73.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 176.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.63 78.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.0 90.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.301 0.572 . . . . 0.0 110.128 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 64.1 mt -66.68 -34.17 77.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.851 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 82.5 m -61.94 -45.03 95.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.456 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -40.52 97.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.4 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.498 ' SD ' ' HB2' ' A' ' 75' ' ' TYR . 31.5 mmt -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.12 -43.3 98.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.24 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.3 mm-40 -65.87 -31.83 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.618 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 32.2 m -75.61 -27.83 58.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.045 0.45 . . . . 0.0 110.607 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 27.7 t80 -70.48 -34.02 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 176.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.578 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.9 t -47.32 -51.72 40.77 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.7 Cg_exo -56.55 -31.33 86.16 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.076 1.851 . . . . 0.0 112.744 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -74.27 -31.6 62.6 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.333 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 44.3 mtm180 -60.88 -35.68 77.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.253 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.462 ' O ' HD23 ' A' ' 49' ' ' LEU . 6.0 m -51.54 -46.1 63.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.16 171.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.19 75.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.582 0.706 . . . . 0.0 110.132 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.62 -46.77 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.074 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.74 -37.32 86.07 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.49 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -58.04 -43.46 86.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 109.773 176.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.6 -59.83 3.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.809 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.65 -37.18 67.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.82 -49.64 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.93 -40.59 60.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 111.006 -175.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -89.25 -6.67 56.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.63 27.33 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.473 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.32 140.74 10.83 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 119.666 -1.254 . . . . 0.0 111.549 -173.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.18 -32.68 50.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 117.808 0.804 . . . . 0.0 108.837 163.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.452 ' HA ' ' CD ' ' A' ' 83' ' ' LYS . 4.9 m-20 -59.47 -29.26 67.69 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.647 -1.161 . . . . 0.0 112.017 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.0 p -81.75 -11.12 59.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.107 0.479 . . . . 0.0 111.324 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.75 62.71 5.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.325 0.584 . . . . 0.0 110.908 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -99.02 139.75 34.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.34 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.09 94.43 0.9 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.637 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.99 -0.1 7.7 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.239 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 m -136.04 168.56 19.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 55.05 34.4 22.42 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.25 52.98 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.929 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 57.6 mt -78.42 122.25 84.8 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.7 Cg_exo -68.93 143.56 55.35 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.031 1.821 . . . . 0.0 112.04 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -46.12 128.41 7.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.819 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.97 125.82 20.22 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.231 2.621 . . . . 0.0 112.553 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -95.97 168.18 10.79 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.787 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 29.8 p -126.6 126.29 43.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.023 0.44 . . . . 0.0 110.602 -178.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.3 p -73.42 177.85 4.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.268 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -55.48 -37.18 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.498 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 23.9 m-85 -92.05 -25.59 18.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' A' ' 72' ' ' THR . 91.7 t -83.26 118.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.066 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.3 m -82.61 -37.68 24.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.53 147.82 14.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.835 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.7 ptp -160.61 140.15 10.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.735 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.4 t -136.39 143.88 44.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.017 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.501 HG22 HG12 ' A' ' 86' ' ' VAL . 21.7 t -110.61 120.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.858 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.24 111.68 9.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.073 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 58' ' ' ASP . 70.9 mmtt 56.59 39.93 29.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.63 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.18 -23.69 3.18 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.308 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.442 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 39.2 t -69.12 136.75 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG12 HG22 ' A' ' 81' ' ' VAL . 29.1 m -126.62 119.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 O-C-N 121.622 -0.674 . . . . 0.0 110.507 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 48.8 p -104.5 123.09 46.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.991 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.59 136.22 51.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -116.84 134.05 55.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.283 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.36 47.35 43.61 Favored Glycine 0 C--N 1.333 0.414 0 O-C-N 124.148 0.905 . . . . 0.0 113.756 176.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.6 124.95 26.92 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.76 -140.99 0.86 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.502 0.321 . . . . 0.0 110.245 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.8 m -63.88 -11.87 31.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.463 HD23 HD22 ' A' ' 126' ' ' LEU . 50.8 mt -78.07 39.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.955 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -53.47 133.13 40.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.851 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.83 -21.9 20.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.683 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.9 tt -82.03 136.35 35.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.0 m -112.51 125.23 54.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.206 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 87' ' ' SER . 35.0 t -101.37 127.58 54.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -124.0 105.7 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.025 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.513 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 48.5 ttm -100.66 118.27 36.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.76 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -111.84 103.5 55.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.906 -174.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.507 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 59.5 Cg_endo -72.94 131.19 16.56 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.424 2.082 . . . . 0.0 111.323 171.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.909 179.728 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 26.5 m-90 -100.02 128.3 46.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.698 0.285 . . . . 0.0 111.219 -177.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -97.16 147.61 23.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -122.05 136.19 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.932 0.396 . . . . 0.0 112.03 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -145.24 132.87 20.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.97 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 71.0 m -116.8 118.0 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.137 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -112.28 105.57 13.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.366 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.485 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 7.1 tp -136.91 104.71 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.576 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -75.76 -39.69 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -170.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.3 m -105.72 10.11 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.485 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 10.6 m-20 -143.28 87.84 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.176 -0.327 . . . . 0.0 111.114 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 13.9 p -61.17 -35.55 77.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.52 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.926 0.394 . . . . 0.0 111.339 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 94' ' ' LEU . 79.6 mt -68.91 -34.06 74.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.953 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 53.2 tt0 -62.43 -46.28 89.25 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 124' ' ' SER . 16.0 mm100 -52.64 -42.75 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.684 0.615 . . . . 0.0 111.127 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.405 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -72.33 -45.15 61.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.167 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 29.2 t -68.43 -48.47 64.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.798 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 5.4 pt-20 -61.97 -22.19 65.44 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.273 -177.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.48 -53.03 32.25 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.964 -0.46 . . . . 0.0 110.333 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.2 t -84.44 -44.61 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.462 0.649 . . . . 0.0 111.743 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.493 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.4 m-85 -95.77 26.5 4.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.859 -175.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 . . . . . 0 N--CA 1.464 0.273 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.86 -169.172 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 86.5 m-20 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.0 0.429 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.12 -33.43 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.037 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 28' ' ' LEU . 4.4 mm? -73.67 -33.03 64.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.8 ttm180 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.716 171.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 43.0 mmtm -60.72 -50.4 73.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.0 80.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.103 0.478 . . . . 0.0 110.109 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.7 mt -62.94 -38.55 91.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.044 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 m -64.79 -37.93 89.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.197 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.37 -38.93 91.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.239 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.68 -41.02 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.001 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.5 tp -62.24 -40.59 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.294 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 34' ' ' THR . 85.5 mm-40 -63.67 -24.68 67.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.006 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.57 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 20.8 m -75.32 -35.41 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.277 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -70.71 -34.18 71.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.78 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.5 t -47.16 -52.94 31.31 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.57 ' HD2' ' O ' ' A' ' 39' ' ' THR . 36.4 Cg_exo -61.88 -31.13 84.79 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.748 1.632 . . . . 0.0 112.519 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 m-85 -71.37 -25.78 62.52 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.194 -0.202 . . . . 0.0 111.22 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 49.0 mtm180 -55.69 -47.19 77.21 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' HD23 ' A' ' 49' ' ' LEU . 45.5 m -52.64 -47.39 67.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.406 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.99 88.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 110.051 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 43' ' ' TYR . 71.5 t -63.65 -45.6 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.838 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 41.6 mt-10 -64.99 -43.29 93.06 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.788 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 45' ' ' THR . 4.5 mm? -66.67 -41.66 87.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.78 -31.87 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.986 0.422 . . . . 0.0 110.196 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.53 68.22 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.464 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.2 tp -81.32 -19.49 42.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.05 -45.76 66.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -175.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -107.96 -11.94 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.37 -20.28 7.41 Favored Glycine 0 N--CA 1.458 0.126 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.382 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.41 149.26 18.38 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 163.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 mt -72.99 -2.4 20.91 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.921 0.489 . . . . 0.0 111.662 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 3.0 m-20 -48.88 -32.06 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 p -92.62 0.1 57.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.086 0.469 . . . . 0.0 111.906 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.39 73.29 2.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.304 0.573 . . . . 0.0 110.662 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.86 156.86 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.19 106.89 1.86 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.685 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.14 8.88 19.22 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.188 -0.53 . . . . 0.0 111.896 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -140.16 154.81 47.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.57 34.81 20.19 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.142 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.63 2.07 84.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.345 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.4 mt -90.47 125.49 59.55 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -57.85 159.17 18.39 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.79 2.327 . . . . 0.0 112.742 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 p -79.06 141.7 58.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.13 123.18 13.21 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.324 2.016 . . . . 0.0 112.017 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -138.14 172.25 13.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.663 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -124.65 126.14 45.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.97 0.414 . . . . 0.0 110.823 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 p -79.41 176.5 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 74' ' ' ARG . 39.3 ttp-105 -54.91 -38.77 68.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.54 ' HB3' ' HG2' ' A' ' 92' ' ' GLU . 20.0 m-85 -91.78 -7.45 49.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.0 t -94.31 128.12 45.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 O-C-N 121.974 -0.454 . . . . 0.0 110.443 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -87.78 -39.7 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.078 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.1 146.02 15.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.591 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.496 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.7 ptm -168.07 139.97 2.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.568 0.543 . . . . 0.0 110.0 175.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 35.5 p -136.29 150.19 48.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.705 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.49 116.22 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.24 111.23 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 65.3 mmtt 54.38 42.84 31.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.945 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.46 -24.28 3.16 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 113.349 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.43 HG22 HG23 ' A' ' 102' ' ' THR . 26.8 t -71.44 142.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 26.8 m -132.62 117.64 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 0.0 110.518 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 79' ' ' MET . 49.6 m -104.47 125.4 50.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.899 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.79 144.88 42.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.473 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.8 m -132.42 143.27 49.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.494 0.188 . . . . 0.0 110.592 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.73 46.36 47.87 Favored Glycine 0 C--N 1.332 0.349 0 O-C-N 123.945 0.778 . . . . 0.0 113.155 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 125.07 35.01 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HG2' ' HB3' ' A' ' 75' ' ' TYR . 17.0 mt-10 51.92 -128.98 2.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.238 0.542 . . . . 0.0 112.02 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -71.96 -14.0 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.581 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.3 mt -81.68 39.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.488 0.661 . . . . 0.0 110.098 -175.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.21 129.71 39.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.326 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.56 -17.0 46.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.929 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.0 tt -89.91 139.03 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.018 0.437 . . . . 0.0 110.792 -175.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 t -113.83 119.69 38.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.78 128.63 68.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.976 0.417 . . . . 0.0 109.897 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.84 113.44 43.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.484 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 49.0 tpp -94.65 110.65 22.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 6.2 m -113.5 93.44 27.4 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.986 -176.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 101' ' ' MET . 24.2 Cg_exo -63.4 131.35 31.59 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.532 2.155 . . . . 0.0 111.714 174.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.681 178.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.7 m-90 -127.85 123.16 34.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -92.91 113.72 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.512 . . . . 0.0 109.67 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.405 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 73.1 mtt180 -109.5 135.04 51.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.816 -174.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.23 133.29 42.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.4 m -112.3 116.93 31.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -114.35 102.77 10.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.173 0.511 . . . . 0.0 110.454 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.45 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.2 tp -137.53 102.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.491 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.442 ' CD ' ' H ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -169.422 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.4 p -93.39 -15.43 25.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.45 ' H ' HG13 ' A' ' 120' ' ' ILE . 12.7 m-20 -139.07 81.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -169.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.4 m -60.7 -22.99 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.77 -35.63 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 111.101 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.965 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.636 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 33.9 tt0 -66.93 -41.25 87.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 175.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -57.6 -36.44 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.513 174.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.3 28.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.387 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 31.5 p -69.11 -44.46 72.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.916 -175.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.46 -22.9 66.58 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.96 -51.04 69.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.918 0.39 . . . . 0.0 110.141 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.71 -47.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.58 0.705 . . . . 0.0 111.266 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -84.79 25.48 0.92 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.991 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.821 -174.367 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.444 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -62.52 -31.56 72.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 110.682 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -79.56 -39.29 32.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.519 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 30.0 ttm180 -59.31 -43.58 92.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.74 172.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -62.11 -47.01 86.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.154 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.11 -38.22 79.04 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.912 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.57 98.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.295 0.569 . . . . 0.0 110.096 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.7 mt -68.67 -38.33 80.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.292 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -66.21 -38.92 89.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.68 -39.08 84.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.691 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 tpt -63.69 -42.04 98.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.073 175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.9 tp -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.269 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.35 -23.73 65.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.419 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 28.1 m -76.46 -35.31 58.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.375 0.607 . . . . 0.0 110.244 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -70.69 -35.84 72.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.7 t -51.82 -50.47 77.68 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.538 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 53.1 Cg_exo -52.3 -42.28 61.29 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.896 1.73 . . . . 0.0 112.615 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.501 ' O ' HG23 ' A' ' 47' ' ' VAL . 86.2 m-85 -68.83 -33.34 73.67 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.757 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 2.8 mmp_? -54.77 -53.64 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.276 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' HD23 ' A' ' 49' ' ' LEU . 21.2 m -52.13 -42.92 63.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.925 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.451 0.643 . . . . 0.0 110.693 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 43' ' ' TYR . 98.0 t -69.9 -40.57 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.317 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 4.0 mm-40 -68.34 -39.84 81.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.059 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -61.84 -38.7 89.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.237 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 59' ' ' THR . 2.7 t -62.36 -52.19 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.198 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.231 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 83.2 mt -73.34 -21.99 60.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.26 -36.53 66.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 111.042 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -108.96 -12.63 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 110.479 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.53 -20.06 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.066 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.02 154.43 16.61 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.581 162.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.25 -2.64 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 123.245 0.618 . . . . 0.0 111.848 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.95 -39.64 27.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.771 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.567 HG23 ' SG ' ' A' ' 50' ' ' CYS . 14.9 t -76.79 -5.43 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 111.526 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -97.51 60.16 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.0 110.519 -176.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.486 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 9.8 t70 -109.57 133.97 52.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.282 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.33 108.37 2.46 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.951 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.64 2.64 24.1 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.314 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.0 m -143.44 162.77 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.7 0.25 . . . . 0.0 110.921 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 62.45 34.2 15.61 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.02 -3.43 84.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.638 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 55.5 mt -92.44 123.51 61.96 Favored Pre-proline 0 N--CA 1.447 -0.617 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 19.9 Cg_exo -65.29 146.99 87.35 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.725 2.284 . . . . 0.0 112.301 -177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -48.67 136.54 13.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.315 172.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.33 125.47 15.26 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.533 2.822 . . . . 0.0 112.993 -172.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -118.33 -177.67 3.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.676 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.43 HG22 HG12 ' A' ' 76' ' ' VAL . 18.4 p -135.97 143.27 44.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.855 0.36 . . . . 0.0 110.551 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.465 ' OG1' HG23 ' A' ' 76' ' ' VAL . 30.3 p -85.2 176.95 8.05 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -55.03 -40.27 70.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -92.3 -12.97 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG23 ' OG1' ' A' ' 73' ' ' THR . 79.0 t -82.48 127.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.378 0.609 . . . . 0.0 110.636 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -81.34 -46.57 14.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.755 -175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -171.88 142.63 1.52 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.385 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.493 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.9 ptm -160.92 140.37 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.148 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.552 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.5 m -124.59 151.31 44.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 t -125.89 119.31 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -139.08 109.58 6.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.177 0.513 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 52.05 43.8 30.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.368 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.37 -24.05 6.71 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.54 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.45 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 38.2 t -73.18 134.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.552 ' HA ' ' O ' ' A' ' 80' ' ' SER . 27.7 m -132.83 121.02 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.516 0.674 . . . . 0.0 111.177 -174.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' A' ' 79' ' ' MET . 24.9 m -104.17 125.37 50.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.786 176.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.04 137.95 50.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 11.4 m -119.81 132.49 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.27 46.25 28.06 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 114.952 -1.022 . . . . 0.0 114.052 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.51 HE21 ' HG2' ' A' ' 92' ' ' GLU . 28.8 tp60 -82.95 124.69 30.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.001 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.51 ' HG2' HE21 ' A' ' 91' ' ' GLN . 5.8 mm-40 55.04 -123.31 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.883 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -72.42 -14.51 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.84 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 97' ' ' LEU . 54.4 mt -87.2 37.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.342 0.591 . . . . 0.0 110.122 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -61.55 134.23 56.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.995 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.6 -17.85 32.83 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.467 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.431 HD13 HD22 ' A' ' 94' ' ' LEU . 8.9 tt -94.27 136.62 34.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.793 0.33 . . . . 0.0 110.215 -176.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -113.02 124.3 52.29 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -100.98 127.43 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.8 t -118.43 102.89 13.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.419 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.6 tpp -92.34 112.45 24.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.628 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 5.4 m -111.23 90.9 12.43 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.538 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 62.1 Cg_endo -77.56 132.96 12.56 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.462 2.108 . . . . 0.0 112.219 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.805 0 CA-C-N 115.633 -0.712 . . . . 0.0 113.148 175.287 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.42 ' HE1' ' NH1' ' A' ' 44' ' ' ARG . 28.9 m-90 -134.72 128.92 33.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -97.32 121.36 39.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.3 mpt_? -108.76 131.42 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.83 0.348 . . . . 0.0 110.756 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -136.1 127.98 29.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.5 m -111.91 116.26 30.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.839 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -108.67 102.89 11.91 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.34 176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 120' ' ' ILE . 5.7 tp -136.15 100.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.278 173.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.88 -38.62 64.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.11 -169.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 m -90.76 -12.92 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.1 86.81 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 127' ' ' GLN . 9.5 t -60.83 -22.08 63.84 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.198 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.55 83.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.349 . . . . 0.0 111.446 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.51 -31.0 67.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.064 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 49.5 tt0 -61.83 -45.13 95.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.953 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.74 -31.52 72.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.41 -48.59 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.394 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 26.2 p -69.05 -44.3 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.975 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 8.7 pt-20 -62.51 -23.65 67.07 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.483 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -70.66 -47.86 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.222 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 135' ' ' ARG . 93.1 t -82.89 -48.54 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.27 0.557 . . . . 0.0 111.193 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.431 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 94.9 m-85 -80.29 23.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.118 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 28.8 ptt180 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.634 -166.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 40.5 m-80 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 111.305 0.113 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -64.35 -38.98 92.96 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.18 -32.85 63.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 35.1 ttm180 -64.62 -41.3 96.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.177 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 7.7 mtmp? -65.88 -40.79 91.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 177.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.93 76.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.738 0.304 . . . . 0.0 111.299 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.49 86.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.378 0.609 . . . . 0.0 109.571 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 88.1 mt -66.28 -33.91 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.324 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 70.1 m -64.65 -41.74 95.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.282 176.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -69.01 -39.12 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.771 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.0 tpt -61.0 -43.73 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.187 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 tm? -61.89 -48.76 79.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.78 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 34' ' ' THR . 85.1 mm-40 -66.03 -29.98 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.514 -177.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.577 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 59.1 m -75.93 -32.29 59.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.248 0.547 . . . . 0.0 110.682 175.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 9.5 t80 -70.54 -33.87 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.183 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.9 t -52.31 -50.92 76.84 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.577 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.7 Cg_exo -55.42 -26.22 52.39 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.253 1.969 . . . . 0.0 112.941 174.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 27.9 m-85 -74.84 -42.06 58.69 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.651 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 12.7 mmm180 -61.47 -37.94 85.44 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' HD23 ' A' ' 49' ' ' LEU . 17.5 m -52.27 -44.03 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.678 0.275 . . . . 0.0 111.178 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.94 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 110.151 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.97 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.08 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 58.0 mm-40 -68.97 -39.98 79.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.181 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -64.84 -43.25 93.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.84 -38.04 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.594 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . . . -69.83 -45.81 67.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.359 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.07 -17.35 64.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.1 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.47 -40.76 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -108.82 -12.65 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.312 0.577 . . . . 0.0 109.995 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.08 -19.41 30.72 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.07 152.31 17.33 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.862 164.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HG ' ' CB ' ' A' ' 51' ' ' ALA . 3.2 mp -73.11 -1.92 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.765 0.426 . . . . 0.0 111.98 -177.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 18.6 t70 -48.98 -32.94 10.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.647 0.379 . . . . 0.0 112.02 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -83.19 -0.43 49.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.191 0.519 . . . . 0.0 111.011 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HA ' HD12 ' A' ' 67' ' ' ILE . 34.8 m -107.54 63.28 0.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.501 0.667 . . . . 0.0 109.779 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.621 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 27.9 t70 -118.94 135.2 54.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.41 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.35 95.2 0.43 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.83 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.12 1.17 6.32 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.764 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 61' ' ' ASP . 59.4 p -145.91 161.48 39.94 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.977 0.388 . . . . 0.0 111.342 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 56.0 44.96 24.66 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.237 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.34 -19.27 28.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.872 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 60' ' ' CYS . 42.8 mt -87.32 127.7 57.94 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.05 164.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.201 1.934 . . . . 0.0 112.727 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.6 m -44.28 136.17 4.1 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.873 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -49.96 129.93 26.07 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.489 2.793 . . . . 0.0 112.956 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.4 p -113.54 176.15 5.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.589 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.8 p -131.74 129.96 41.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.103 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.7 p -73.97 177.16 5.82 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -53.82 -42.9 68.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -167.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -103.37 5.14 37.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 54.6 t -87.22 128.52 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.239 176.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 m -81.19 -42.36 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.633 -173.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.83 145.06 1.86 Allowed 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.471 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.4 ptm -169.32 146.87 3.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.86 0.362 . . . . 0.0 111.04 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -135.2 147.52 49.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.612 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.9 t -121.61 118.68 56.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.621 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -131.3 110.24 10.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.129 0.49 . . . . 0.0 110.778 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.2 mmtp 50.0 46.35 24.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.853 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.41 -24.7 5.43 Favored Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.212 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 61.6 t -64.46 138.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.6 t -134.62 112.72 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.078 0.466 . . . . 0.0 110.381 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 31.6 t -102.23 121.4 42.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.865 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.3 mm? -100.77 134.62 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.2 m -123.19 127.54 48.78 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.911 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 48.14 45.91 27.19 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.857 -1.065 . . . . 0.0 114.1 174.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.506 HE21 ' HG3' ' A' ' 92' ' ' GLU . 28.0 tp60 -72.97 122.7 22.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.211 0.506 . . . . 0.0 110.291 -177.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG3' HE21 ' A' ' 91' ' ' GLN . 48.4 mt-10 46.86 -116.48 0.69 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.782 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m -74.35 -14.43 60.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.817 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 53.3 mt -81.93 38.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.558 -174.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.5 132.47 51.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.917 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.25 -10.4 49.26 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.484 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.446 HD13 HD22 ' A' ' 94' ' ' LEU . 8.7 tt -93.21 133.63 36.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.061 0.458 . . . . 0.0 110.126 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -112.88 129.44 56.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.5 t -106.51 125.13 62.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.06 103.39 15.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 50.3 ttm -88.79 110.61 21.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.043 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.447 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 10.7 m -106.96 96.67 15.39 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.257 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 102' ' ' THR . 34.4 Cg_endo -66.23 139.59 55.73 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 112.543 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.964 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 176.849 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 112.365 -0.294 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -117.31 124.25 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.517 0.199 . . . . 0.0 110.606 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.78 113.57 25.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -108.46 120.35 42.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.727 -176.881 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 17.5 m120 -112.2 125.65 54.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.244 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.0 m -102.57 115.61 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -115.53 105.04 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.0 111.133 -177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.2 tp -135.77 103.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.452 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -74.78 -39.78 61.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -167.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -98.3 2.69 48.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.484 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 6.7 m-20 -142.5 83.81 1.83 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.843 0.354 . . . . 0.0 110.558 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 17.8 t -60.49 -30.98 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.368 -177.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.09 94.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.914 0.387 . . . . 0.0 111.354 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.12 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.102 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -68.06 -43.7 78.05 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.777 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 124' ' ' SER . 97.6 mt-30 -56.64 -40.34 75.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -45.27 49.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.362 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.19 -49.58 55.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.925 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.8 tt0 -63.0 -25.74 68.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.356 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.72 -51.14 69.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.544 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 63.8 t -84.14 -49.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.328 0.585 . . . . 0.0 111.678 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 87.0 m-85 -86.11 21.87 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.123 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 14.0 ptm180 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.386 0.613 . . . . 0.0 112.44 -173.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -70.32 -37.75 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.218 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.37 -38.95 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.884 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.543 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 37.4 ttp180 -62.64 -40.9 98.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.099 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -59.78 -50.89 72.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.506 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.75 93.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.88 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 110.284 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 86.9 mt -68.48 -35.88 78.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.371 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 57.4 m -63.97 -38.55 91.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.953 176.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.2 -40.54 86.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.073 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.7 tpp -61.3 -43.32 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.881 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.55 -40.77 96.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.415 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 28.3 mm-40 -66.24 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.262 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.552 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.8 m -75.7 -29.41 58.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.377 0.608 . . . . 0.0 110.244 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.78 -34.62 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.388 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 78.8 t -50.75 -51.51 65.4 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.1 Cg_exo -55.29 -39.61 90.07 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.904 1.736 . . . . 0.0 112.558 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.495 ' O ' HG23 ' A' ' 47' ' ' VAL . 75.2 m-85 -72.26 -24.16 61.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.249 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.528 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 33.1 mtp-105 -55.35 -44.98 76.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.463 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 m -52.68 -47.13 67.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.12 86.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.251 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 43' ' ' TYR . 78.7 t -62.03 -48.36 88.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.47 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.6 mt-10 -60.29 -44.84 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -60.99 -43.26 99.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.072 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.6 t -72.27 -32.36 66.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.041 0.448 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB2' HD21 ' A' ' 57' ' ' LEU . . . -69.78 -41.91 74.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.695 -176.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -76.8 -19.99 56.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.46 -46.75 68.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -109.29 -11.7 14.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 -19.63 9.46 Favored Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.945 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.88 145.77 18.75 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.015 -1.088 . . . . 0.0 113.116 164.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 51' ' ' ALA . 43.7 mt -73.32 -2.04 20.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.059 0.544 . . . . 0.0 111.517 177.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 29.2 t70 -47.71 -33.88 7.54 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.3 p -90.66 -1.38 57.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.105 0.479 . . . . 0.0 111.983 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.401 ' SG ' HD23 ' A' ' 57' ' ' LEU . 34.8 m -93.04 72.32 4.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.406 -173.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.84 147.46 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.95 111.99 4.54 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.189 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.46 -4.1 19.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.549 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 p -129.8 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.717 0.258 . . . . 0.0 111.094 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 56.13 28.85 13.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.166 0.586 . . . . 0.0 112.454 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.64 -6.7 76.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.543 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.2 mt -76.4 130.15 77.98 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 46.1 Cg_exo -57.13 155.88 27.09 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.753 2.302 . . . . 0.0 112.854 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.4 t -88.18 138.69 30.54 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.72 124.88 14.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.197 2.598 . . . . 0.0 112.729 -173.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -144.65 179.76 7.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.12 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 54.4 p -130.71 126.67 37.06 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.968 0.413 . . . . 0.0 110.435 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.414 ' OG1' HG23 ' A' ' 76' ' ' VAL . 49.5 p -72.35 178.53 3.9 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -54.0 -42.73 69.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.343 -0.143 . . . . 0.0 111.098 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -89.98 -17.96 26.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.514 ' O ' ' HB ' ' A' ' 72' ' ' THR . 54.1 t -81.02 129.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.241 0.543 . . . . 0.0 110.531 -176.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -86.04 -42.71 13.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.544 -176.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.27 147.14 3.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.207 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.7 ptp -165.84 140.81 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.642 0.589 . . . . 0.0 110.222 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 23.7 m -129.15 145.4 51.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.595 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -118.44 112.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.13 110.97 11.55 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.05 0.453 . . . . 0.0 110.515 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 66.6 mttm 48.05 46.4 19.3 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.109 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.51 -24.89 5.36 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.854 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.3 t -68.04 142.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 80' ' ' SER . 23.2 m -137.2 113.6 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.632 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -104.65 129.0 52.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.462 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.7 141.94 50.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.867 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.1 m -132.33 150.93 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.941 0.4 . . . . 0.0 111.481 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.12 41.85 54.07 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.576 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 24.4 tp60 -83.13 125.71 31.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -174.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HG2' HE21 ' A' ' 91' ' ' GLN . 6.0 mm-40 57.31 -139.8 0.86 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.641 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -64.51 -13.31 51.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.893 0.378 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.2 mt -81.33 38.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.003 0.43 . . . . 0.0 111.041 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.439 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 28.6 t-20 -54.36 134.38 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.738 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.28 -23.46 15.09 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.844 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -85.64 138.13 32.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.741 0.305 . . . . 0.0 110.286 -176.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -118.75 135.6 54.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.051 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.24 128.26 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.79 108.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.925 0.393 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.4 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.0 tpp -97.59 110.58 23.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.75 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.571 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 4.4 m -111.04 90.45 11.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.971 0.415 . . . . 0.0 110.338 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.24 133.33 19.23 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.631 2.221 . . . . 0.0 113.075 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.902 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 172.607 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 121.005 0.225 . . . . 0.0 113.036 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -119.96 132.09 55.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -92.95 113.03 25.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -108.91 133.69 52.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.804 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -140.26 118.74 12.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.783 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.4 m -104.34 115.08 29.75 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -114.89 104.92 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -175.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.418 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.5 tp -136.84 103.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.965 172.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -74.07 -38.88 63.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -169.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.9 p -88.63 -19.57 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -171.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.418 ' H ' HG13 ' A' ' 120' ' ' ILE . 6.8 m-20 -134.8 82.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.553 -169.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -60.17 -22.96 63.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.108 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.49 95.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.872 0.368 . . . . 0.0 111.014 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.26 -34.12 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 63.8 tt0 -62.93 -40.8 98.74 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.945 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -53.53 -37.85 63.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.596 0.56 . . . . 0.0 111.589 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.12 -45.64 47.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.7 t -69.22 -49.3 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 11.4 pt-20 -62.23 -25.1 67.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.32 -51.91 21.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.496 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.2 t -82.88 -49.02 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.287 0.565 . . . . 0.0 111.387 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -84.74 24.49 1.03 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 6.9 ptm180 . . . . . 0 CA--C 1.518 -0.283 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.647 -170.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 87.3 m-20 . . . . . 0 C--O 1.224 -0.251 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.19 -44.96 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.194 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.12 -32.46 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.909 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HD2' ' HB3' ' A' ' 92' ' ' GLU . 25.2 tpp180 -66.19 -35.78 81.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.835 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 32.6 mmtp -65.45 -45.75 82.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.313 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.16 65.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.32 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' HB2' HG21 ' A' ' 133' ' ' VAL . 96.2 mt -66.08 -38.73 89.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 m -63.68 -40.73 97.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.211 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.13 -39.45 92.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.417 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 tpt -61.85 -46.43 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.255 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 20.7 tp -59.44 -44.13 92.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.198 0.523 . . . . 0.0 110.53 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 77.0 mm-40 -67.67 -24.2 65.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.471 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.579 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 48.1 m -76.42 -27.33 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 110.574 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 32.4 t80 -65.91 -34.99 79.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.618 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 62.4 t -57.16 -50.73 86.5 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.582 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 32.8 Cg_exo -61.63 -28.77 83.06 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.762 1.642 . . . . 0.0 112.635 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -72.05 -24.96 61.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.033 0.444 . . . . 0.0 110.007 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.618 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 23.3 mmm180 -55.49 -42.89 75.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.567 175.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.1 m -51.11 -47.14 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.282 0.364 . . . . 0.0 111.527 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.79 97.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.37 0.605 . . . . 0.0 110.512 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.25 -44.89 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.475 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 39.3 mt-10 -70.0 -34.49 73.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -64.03 -43.51 95.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.281 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 p -74.53 -37.27 63.11 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.266 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' HD23 ' A' ' 57' ' ' LEU . . . -54.31 -37.15 64.48 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.528 173.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.3 mt -78.21 -23.24 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.922 0.391 . . . . 0.0 111.145 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.2 -41.23 70.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.89 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -107.42 -12.44 15.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.147 0.499 . . . . 0.0 110.664 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.75 -20.54 6.27 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.665 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.67 164.97 13.41 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.945 163.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD23 ' HB2' ' A' ' 51' ' ' ALA . 56.8 mt -73.49 -1.37 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.332 0.653 . . . . 0.0 111.891 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 1.9 m-20 -48.08 -38.79 18.37 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.5 0.72 . . . . 0.0 112.261 -174.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -87.46 -6.45 58.4 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -89.99 69.45 7.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.126 0.489 . . . . 0.0 111.905 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -104.9 154.24 20.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.378 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.56 98.41 0.75 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.044 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.18 4.6 5.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.137 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -148.54 162.22 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.582 -0.363 . . . . 0.0 110.963 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 57.94 47.0 15.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.75 -9.08 46.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.901 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.3 mt -93.85 120.38 65.98 Favored Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.51 150.77 52.19 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.348 2.032 . . . . 0.0 111.881 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.8 m -48.92 134.77 14.41 Favored Pre-proline 0 C--O 1.237 0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.182 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -46.18 123.63 6.68 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.131 2.554 . . . . 0.0 112.103 -171.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -113.02 130.18 56.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.275 -169.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -103.02 125.32 49.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.373 0.606 . . . . 0.0 110.516 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.468 ' H ' ' HB ' ' A' ' 76' ' ' VAL . 43.3 p -80.25 179.11 7.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.567 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 74' ' ' ARG . 34.5 ttt180 -53.97 -36.73 63.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.665 0.269 . . . . 0.0 110.896 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -94.63 -25.02 16.94 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.588 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 73.9 t -80.45 124.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.551 0.691 . . . . 0.0 110.487 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -82.77 -46.01 13.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.826 -173.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.96 147.38 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptp -156.34 147.84 22.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 t -140.5 134.67 31.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.65 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 86' ' ' VAL . 23.1 t -114.1 121.42 66.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.16 110.6 7.47 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.163 0.506 . . . . 0.0 110.118 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 69.2 mmtt 53.35 46.88 25.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.384 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.96 -23.4 5.94 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.009 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 102' ' ' THR . 46.9 t -71.65 139.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 81' ' ' VAL . 36.0 m -129.45 117.46 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.714 0.769 . . . . 0.0 110.262 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 14.4 m -103.56 128.74 50.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.242 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.0 mm? -109.09 144.19 37.45 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.8 m -136.52 137.85 40.72 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.334 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.3 46.39 35.36 Favored Glycine 0 C--N 1.335 0.495 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.424 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.588 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 28.8 tp60 -93.3 125.43 37.9 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 122.771 -0.252 . . . . 0.0 110.48 -175.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 29' ' ' ARG . 26.8 mm-40 55.76 -133.49 1.54 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.327 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 27.4 t -67.54 -14.23 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.865 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 35.4 mt -83.18 39.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.373 0.606 . . . . 0.0 110.304 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -61.72 127.1 29.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.377 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.66 -13.85 59.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.345 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 7.4 tt -90.84 130.29 36.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.926 0.393 . . . . 0.0 109.983 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.6 m -108.56 122.65 47.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.335 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.6 t -100.58 127.28 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.8 t -113.26 102.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 54.0 tpp -90.06 110.27 21.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 37.2 m -111.33 95.17 24.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 36.3 Cg_endo -68.13 142.29 55.42 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.115 1.877 . . . . 0.0 110.885 173.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.898 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.641 -177.221 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.651 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 29.1 m-90 -135.19 123.55 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.542 0.211 . . . . 0.0 110.478 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -89.78 130.98 35.96 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.4 mpt_? -108.38 133.16 52.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -144.26 128.64 17.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.957 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.97 124.93 43.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.272 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 40.1 m-80 -111.71 102.01 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.442 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 120' ' ' ILE . 6.1 tp -138.14 95.15 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.184 172.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -73.44 -15.54 61.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -167.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.5 p -102.23 -23.47 14.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.55 94.99 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 111.764 -168.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.3 m -60.84 -25.09 66.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.313 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.08 -31.72 71.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.689 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.07 -37.0 86.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.004 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -67.34 -35.22 78.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.37 70.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.524 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 31.7 p -68.62 -39.26 80.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.43 -26.55 68.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.018 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -68.97 -45.24 71.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.943 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 33' ' ' LEU . 98.9 t -83.16 -46.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 0.0 111.146 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.499 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 97.9 m-85 -84.05 20.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.49 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.441 -177.855 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 16.8 m-80 . . . . . 0 CA--C 1.516 -0.331 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -69.13 -41.48 77.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.648 -171.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.44 -44.79 70.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 110.279 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.576 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 15.0 ttp180 -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.291 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 26' ' ' ASN . 82.8 tttt -66.03 -42.83 89.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.09 73.0 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 122.216 -0.302 . . . . 0.0 111.093 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.52 98.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 109.664 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.5 mt -63.6 -33.35 75.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.517 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 66.8 m -68.23 -38.72 82.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.47 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.65 -40.72 80.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 109.864 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.8 tpp -61.13 -41.4 96.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.538 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 tp -59.83 -41.03 90.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.713 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.4 mm-40 -64.66 -34.49 78.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.972 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.556 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 45.5 m -75.27 -30.65 60.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 110.395 175.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -71.29 -34.79 70.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.59 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 55.5 t -48.65 -51.55 52.05 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.0 Cg_exo -54.63 -24.78 38.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.302 2.002 . . . . 0.0 113.305 176.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -75.51 -37.06 60.39 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.434 0.635 . . . . 0.0 109.316 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 97.1 mtt180 -56.9 -43.25 81.17 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.441 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.6 m -51.6 -38.33 54.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.583 0.552 . . . . 0.0 112.04 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.603 0.716 . . . . 0.0 110.22 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.92 -43.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.373 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 26.4 mm-40 -63.31 -41.32 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -62.46 -41.19 98.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.6 t -64.14 -45.28 89.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.048 0.451 . . . . 0.0 109.91 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -59.87 -26.2 65.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.845 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.3 mt -82.76 -31.81 28.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.795 0.331 . . . . 0.0 111.354 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -75.12 -44.2 48.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.537 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -108.12 -12.29 15.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.235 0.54 . . . . 0.0 111.077 -175.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 68.5 -20.2 0.36 Allowed Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.698 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.62 149.93 18.75 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.083 163.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 76.2 mt -74.18 -3.82 32.1 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.819 0.448 . . . . 0.0 112.165 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.68 -32.02 50.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 111.96 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.8 p -92.23 -3.7 55.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 58.2 m -89.22 70.19 8.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.125 0.488 . . . . 0.0 111.832 -170.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -109.51 145.68 35.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.22 114.49 6.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.556 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.31 3.23 25.99 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.298 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -148.49 167.66 24.76 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.816 -0.226 . . . . 0.0 110.736 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.6 m120 52.45 43.6 30.8 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.34 0.656 . . . . 0.0 112.615 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.7 -10.02 57.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.748 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 44.2 mt -91.78 118.66 68.41 Favored Pre-proline 0 N--CA 1.447 -0.578 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.1 Cg_exo -68.34 145.67 66.41 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.459 2.106 . . . . 0.0 111.5 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 p -52.78 125.29 38.15 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.17 130.1 37.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.052 2.501 . . . . 0.0 112.37 -174.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.2 t -120.11 178.14 4.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.317 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -126.82 126.04 42.7 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.0 p -75.01 178.07 5.89 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -53.94 -43.67 70.03 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.202 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -93.17 -14.83 26.65 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -81.61 130.94 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.183 0.516 . . . . 0.0 110.158 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -86.66 -47.13 9.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.787 -172.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -173.07 148.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.211 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptp -162.98 140.29 7.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.861 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 m -136.82 140.54 42.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.04 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -105.49 115.57 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 85' ' ' VAL . . . -130.61 110.56 11.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.258 0.551 . . . . 0.0 110.497 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 47.13 45.48 16.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.513 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.4 -26.19 3.09 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.816 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 82' ' ' ALA . 1.4 m -75.46 141.19 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.28 122.93 60.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.36 0.6 . . . . 0.0 110.892 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -103.24 124.03 47.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.821 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.01 146.59 41.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.588 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.8 m -132.52 137.64 47.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.364 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.63 46.97 38.12 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.949 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.481 HE21 ' HG3' ' A' ' 92' ' ' GLU . 20.8 tp60 -76.22 123.41 25.84 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.481 ' HG3' HE21 ' A' ' 91' ' ' GLN . 33.1 mt-10 46.02 -121.33 1.04 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.988 0.515 . . . . 0.0 111.96 -176.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -74.42 -13.24 60.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 62.8 mt -81.93 38.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.236 0.541 . . . . 0.0 110.301 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.26 130.46 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.458 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.54 -15.08 58.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.332 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.1 tt -93.31 130.71 38.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.155 0.502 . . . . 0.0 110.198 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 t -112.23 128.21 56.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.623 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.81 129.18 53.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.18 105.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 52.6 ttp -100.02 113.53 26.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.545 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 85' ' ' VAL . 32.0 m -107.01 100.96 35.2 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.185 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.05 158.48 57.73 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.834 2.356 . . . . 0.0 112.276 178.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -178.873 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.375 -0.125 . . . . 0.0 113.359 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.0 m-90 -126.61 128.91 47.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.096 0.448 . . . . 0.0 110.943 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.92 116.22 27.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.454 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 3.0 mpt_? -108.74 124.12 50.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -176.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -127.08 128.96 47.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.868 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.14 116.07 26.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.729 0.299 . . . . 0.0 110.305 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 20.1 m120 -110.26 106.62 16.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.3 -176.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.495 HG13 ' H ' ' A' ' 123' ' ' ASP . 3.4 tp -135.15 107.18 7.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.174 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.8 -39.43 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.3 m -86.82 -18.08 31.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -170.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.495 ' H ' HG13 ' A' ' 120' ' ' ILE . 12.8 m-20 -139.81 83.26 1.92 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.607 0.242 . . . . 0.0 111.01 -173.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.5 m -59.36 -28.0 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.758 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.16 -32.57 74.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 111.364 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 94' ' ' LEU . 78.0 mt -70.17 -30.59 67.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.0 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 94.3 mt-30 -57.38 -47.65 81.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.34 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.09 -46.56 67.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.156 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.12 -51.75 67.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 34.4 tt0 -66.07 -31.37 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 110.375 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 0.9 OUTLIER -69.93 -41.06 75.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.6 t -83.01 -48.22 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.041 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 44.2 m-85 -77.5 -20.67 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.233 -172.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 74.8 ttt180 . . . . . 0 N--CA 1.45 -0.456 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.198 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 121.092 0.472 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -70.1 -35.75 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.212 -173.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.22 -34.78 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.08 0.467 . . . . 0.0 110.052 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.54 -35.99 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.206 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.13 -46.63 85.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.234 175.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.01 98.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -31.98 71.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.911 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.6 m -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.793 175.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.62 -40.92 89.01 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.036 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.813 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 33.5 tp -61.61 -42.44 98.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.1 mm-40 -66.48 -28.53 68.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.489 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.483 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 55.0 m -77.25 -33.36 55.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.195 0.522 . . . . 0.0 110.719 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.13 -36.82 75.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.645 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 99.0 t -57.0 -49.82 91.79 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 77.6 Cg_exo -51.64 -36.06 59.45 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.338 2.025 . . . . 0.0 113.059 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.1 m-85 -72.01 -34.51 68.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.253 0.549 . . . . 0.0 109.76 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.552 ' NH2' HG21 ' A' ' 47' ' ' VAL . 5.2 mmp_? -60.59 -40.23 90.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.052 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 24.9 m -53.69 -41.42 66.91 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.049 173.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.24 74.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.771 0.796 . . . . 0.0 110.326 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.552 HG21 ' NH2' ' A' ' 44' ' ' ARG . 87.6 t -71.16 -39.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 45' ' ' THR . 11.9 pt-20 -67.05 -32.94 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.261 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.97 -44.37 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.59 -32.6 74.12 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.396 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -40.0 76.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.467 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.42 -25.01 45.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.003 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.5 -43.71 98.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -108.43 -13.05 14.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.134 0.493 . . . . 0.0 110.598 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -19.77 5.62 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.088 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.21 145.83 18.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.656 164.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.3 -3.06 21.55 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.771 0.428 . . . . 0.0 111.276 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.11 -31.23 18.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.075 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.7 p -94.87 5.47 51.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.923 0.392 . . . . 0.0 112.038 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 78.0 m -101.71 73.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.427 0.632 . . . . 0.0 110.922 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -109.34 159.1 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.899 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.07 108.34 2.41 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.768 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.08 6.49 12.31 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.857 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -148.63 160.66 42.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.275 0.538 . . . . 0.0 111.49 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 53.41 46.67 25.8 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.053 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 -13.25 60.35 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.03 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.75 122.14 59.52 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.45 150.86 70.62 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.439 2.093 . . . . 0.0 112.479 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.8 m -50.73 140.82 18.86 Favored Pre-proline 0 C--O 1.235 0.293 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.894 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.543 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 23.4 Cg_endo -61.2 124.59 15.12 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.533 2.155 . . . . 0.0 111.831 -175.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -136.4 167.62 21.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.783 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.413 HG22 HG12 ' A' ' 76' ' ' VAL . 18.4 p -117.06 126.39 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.606 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.2 p -80.76 177.1 9.25 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -53.49 -39.17 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -174.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -100.0 12.73 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.413 HG12 HG22 ' A' ' 72' ' ' THR . 90.6 t -112.5 130.8 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.358 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 m -97.91 -39.34 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.723 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -146.34 154.3 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -174.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.543 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -163.01 160.16 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.324 -177.044 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -155.2 135.85 13.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.342 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 40.9 t -128.79 121.5 54.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.19 110.69 5.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.035 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 48.81 48.11 20.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.504 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.99 -23.3 18.21 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.115 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 62.3 t -65.7 133.27 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.89 109.86 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.217 0.532 . . . . 0.0 110.246 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 79' ' ' MET . 34.3 t -104.93 125.74 51.26 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.553 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -113.01 147.35 37.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 29.4 m -150.43 145.38 26.02 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 47.29 46.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.575 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -96.08 122.48 38.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.67 -119.84 0.64 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.042 0.537 . . . . 0.0 112.388 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 t -75.64 -14.36 60.36 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 111.597 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 79.0 mt -84.62 40.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.706 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -53.32 136.35 37.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.421 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.55 -22.21 4.85 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.89 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 89' ' ' THR . 9.4 tt -79.37 138.29 37.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.028 0.414 . . . . 0.0 110.566 -175.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 7.5 t -118.55 129.03 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.272 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 59.0 t -109.11 129.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.87 103.73 14.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.072 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 29.9 tpp -83.02 109.57 17.22 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 103' ' ' PRO . 6.0 m -114.68 117.37 42.47 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.857 -174.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 25.6 Cg_exo -64.07 127.94 20.57 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.124 1.883 . . . . 0.0 111.84 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 176.863 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -117.47 124.09 47.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.293 0.546 . . . . 0.0 111.101 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.86 141.26 29.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.73 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.555 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -108.62 140.93 41.3 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.125 -177.065 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.9 m120 -143.28 123.69 13.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.4 m -103.72 114.84 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -116.56 106.02 13.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.269 0.557 . . . . 0.0 111.256 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -134.37 108.68 11.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 172.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.84 -39.6 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -165.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 p -96.29 -18.46 19.98 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -133.21 89.7 2.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.874 -169.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 35.3 m -61.0 -25.83 67.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.793 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.19 70.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.014 0.435 . . . . 0.0 111.519 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.47 -37.27 60.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 31.7 tt0 -65.95 -43.89 86.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.601 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 124' ' ' SER . 98.9 mt-30 -52.71 -37.32 58.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.426 0.454 . . . . 0.0 111.36 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -47.1 29.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.163 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.69 -49.09 67.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 4.4 pt-20 -65.99 -23.82 66.65 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.65 -48.66 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.969 0.414 . . . . 0.0 110.296 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.65 -49.01 18.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.32 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.62 21.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.455 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 9.7 ptm180 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 122.163 0.983 . . . . 0.0 113.448 -168.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 54.6 m-80 . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.38 -41.87 72.5 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.998 -172.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.45 -42.45 98.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.271 0.558 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.606 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 19.4 ttp180 -67.95 -34.42 76.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.826 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 54.2 mttm -56.55 -51.46 68.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.188 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.96 76.4 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.26 88.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 109.971 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 70.4 mt -68.86 -36.48 78.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.574 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.9 m -67.33 -38.27 84.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.169 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.07 -39.72 82.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.235 0.541 . . . . 0.0 109.897 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.723 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 16.1 ttt -59.48 -47.52 85.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.8 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 36.8 tp -62.76 -41.36 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.406 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -64.26 -30.57 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.861 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 31.5 m -75.13 -31.77 61.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.381 0.61 . . . . 0.0 110.412 177.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -71.36 -35.08 71.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.22 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.558 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 71.0 t -47.37 -51.89 39.94 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 53.0 Cg_exo -55.2 -37.5 94.24 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.0 1.8 . . . . 0.0 112.925 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.96 -26.12 65.78 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.421 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 55.3 mtm180 -58.28 -43.52 88.02 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.451 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.9 m -51.36 -40.09 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.392 0.432 . . . . 0.0 112.033 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.562 0.696 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.49 -42.54 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.284 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.2 mt-10 -62.29 -44.73 95.84 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.81 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.57 -43.36 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.627 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 t -64.78 -48.42 74.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.459 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -63.48 -23.72 67.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.032 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.0 mt -83.27 -50.11 8.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -70.02 -33.85 72.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.902 -172.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -106.47 -12.5 15.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.486 0.66 . . . . 0.0 109.899 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.07 -20.52 0.22 Allowed Glycine 0 CA--C 1.521 0.457 0 CA-C-N 114.829 -1.078 . . . . 0.0 114.058 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.27 151.7 18.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.691 -1.243 . . . . 0.0 113.064 164.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.695 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 17.7 mt -73.56 -3.0 25.17 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.072 0.549 . . . . 0.0 111.772 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.28 -38.08 50.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.845 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -90.78 6.24 45.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 16.0 m -100.49 54.93 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.489 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t70 -109.12 134.01 52.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.07 113.08 3.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.202 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.8 -4.71 22.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.28 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.6 p -148.3 174.39 12.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 61.33 29.64 18.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.788 0.328 . . . . 0.0 111.812 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.07 -8.33 70.94 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.427 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 47.8 mt -92.88 121.31 66.15 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 20.4 Cg_exo -65.13 145.48 84.69 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.462 2.108 . . . . 0.0 111.889 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.1 m -46.39 136.18 7.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.355 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -49.12 125.07 12.62 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.56 2.84 . . . . 0.0 112.883 -171.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 p -94.92 135.71 36.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.224 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 p -103.58 126.04 50.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.141 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 p -74.89 176.62 6.95 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.455 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -55.96 -43.07 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.14 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -90.97 -19.21 23.5 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.544 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 49.1 t -81.74 130.84 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -84.42 -52.51 6.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.419 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.13 142.18 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.597 0.237 . . . . 0.0 110.706 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ptm -161.37 143.44 11.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.25 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 31.4 t -133.64 145.15 49.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.734 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.27 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -128.47 108.81 10.85 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 46.45 48.44 13.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.669 -1.151 . . . . 0.0 110.976 -176.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.89 -24.35 6.85 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.395 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.86 133.45 31.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 80' ' ' SER . 58.8 t -129.4 112.18 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.044 0.449 . . . . 0.0 110.662 -172.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -104.87 124.08 48.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.028 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.16 148.44 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 m -140.42 149.52 42.7 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.293 -0.563 . . . . 0.0 112.294 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.87 46.1 31.89 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.762 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.723 ' HG2' ' SD ' ' A' ' 36' ' ' MET . 31.9 tp60 -88.66 124.45 34.1 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.831 -176.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.44 ' HG2' HE21 ' A' ' 91' ' ' GLN . 4.7 mm-40 45.84 -117.76 0.71 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.521 178.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.6 t -74.25 -14.62 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.003 0.43 . . . . 0.0 110.832 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 63.2 mt -89.58 37.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.188 0.518 . . . . 0.0 110.619 -175.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -53.55 133.01 41.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.574 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.15 -20.16 22.74 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.978 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.53 HD11 ' SG ' ' A' ' 118' ' ' CYS . 10.5 tt -86.69 143.96 27.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.887 0.375 . . . . 0.0 110.77 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 m -124.67 127.96 48.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.284 177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.59 129.4 54.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.41 108.63 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.127 0.489 . . . . 0.0 110.26 -175.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 47.9 ttp -91.56 111.5 23.04 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 11.8 m -115.72 82.55 10.46 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.823 -178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HG2' HD13 ' A' ' 57' ' ' LEU . 29.2 Cg_endo -65.51 131.0 26.56 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.266 1.978 . . . . 0.0 111.984 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.141 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.878 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -139.42 123.2 17.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -88.66 130.73 35.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.496 ' HB2' ' HG2' ' A' ' 135' ' ' ARG . 6.4 mmm180 -109.68 120.7 43.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -126.22 136.9 53.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.53 ' SG ' HD11 ' A' ' 97' ' ' LEU . 46.9 t -124.65 123.94 41.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -124.87 109.52 13.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 111.9 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.8 tp -134.6 110.88 13.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -71.65 -40.31 69.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -167.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -109.05 12.26 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -170.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -152.59 90.26 1.47 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.969 0.414 . . . . 0.0 111.962 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.3 m -60.83 -28.16 68.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.578 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.65 79.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.773 0.32 . . . . 0.0 111.463 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.12 -34.37 77.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -68.08 -38.23 82.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -53.96 -42.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.681 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.94 35.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.833 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.23 -53.53 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -68.36 -26.86 65.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.318 -175.319 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.89 -40.23 79.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.7 t -82.34 -40.06 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -83.08 -18.76 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 131' ' ' GLU . 57.8 mtp180 . . . . . 0 C--N 1.324 -0.509 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.581 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -61.49 -45.85 92.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.352 -174.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.7 -34.96 62.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.602 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 33.8 ttm180 -59.1 -41.92 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.739 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -57.93 -49.79 75.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.494 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.91 72.91 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.529 0.68 . . . . 0.0 109.45 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 68.2 mt -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.812 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 33.4 m -65.59 -41.92 92.29 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.228 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.31 -40.38 85.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.79 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.45 -42.27 98.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 41' ' ' VAL . 41.6 tp -57.97 -41.75 83.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 34' ' ' THR . 28.6 mm-40 -61.18 -34.26 74.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.423 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.572 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 39.2 m -75.7 -32.51 60.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.773 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.493 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 32.3 t80 -71.44 -35.07 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 37' ' ' LEU . 72.4 t -49.08 -51.12 58.9 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.572 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.8 Cg_exo -54.76 -32.46 76.59 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.015 1.81 . . . . 0.0 113.376 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -72.99 -27.79 62.01 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.154 -0.341 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -61.97 -37.93 86.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.162 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.43 ' O ' HD23 ' A' ' 49' ' ' LEU . 11.1 m -52.87 -45.13 67.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.579 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.29 76.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.561 0.696 . . . . 0.0 109.908 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.483 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 98.0 t -68.47 -39.68 81.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.585 -1.188 . . . . 0.0 110.123 176.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.85 -40.21 94.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.032 0.444 . . . . 0.0 110.225 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 45' ' ' THR . 4.0 mm? -62.33 -45.89 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.402 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 25.2 p -77.05 -21.62 54.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.692 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.95 63.86 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.29 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -81.12 -16.32 53.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.43 -34.8 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.569 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -107.25 -13.15 15.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 109.251 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.49 -20.5 6.05 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.239 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.93 158.09 14.63 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.399 161.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.79 -1.75 15.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.193 0.597 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.77 -34.91 13.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.841 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 p -87.63 9.86 19.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HA ' HD12 ' A' ' 67' ' ' ILE . 85.2 m -105.82 58.22 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.174 178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 32.2 t70 -106.68 140.01 40.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.764 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.39 101.91 1.67 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.132 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.86 5.91 23.36 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.96 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.0 t -148.14 161.11 42.1 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 59.64 38.44 22.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.653 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.5 -18.99 34.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.748 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 60' ' ' CYS . 53.6 mt -86.18 126.65 64.4 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.87 162.36 39.46 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.111 1.874 . . . . 0.0 112.355 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t -43.46 137.54 3.01 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.257 173.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.611 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 5.2 Cg_endo -46.48 142.7 9.26 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 124.208 3.272 . . . . 0.0 113.516 -170.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m -98.6 140.65 32.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.693 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.36 177.25 4.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.7 p -142.33 175.64 9.61 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.7 -41.69 97.93 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.076 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.494 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . 19.5 m-85 -82.74 -19.2 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -93.33 126.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.088 0.471 . . . . 0.0 110.841 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 t -91.63 -36.24 13.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.37 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.549 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -150.74 152.4 33.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.028 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.611 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -149.32 168.27 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.396 0.617 . . . . 0.0 112.121 -174.412 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 39.3 t -163.04 136.36 5.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.751 176.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.06 113.93 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -135.72 111.03 9.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.946 0.403 . . . . 0.0 110.311 -176.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 51.33 44.33 28.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.591 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 87.48 -24.91 8.87 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.417 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.84 129.75 34.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 80' ' ' SER . 61.8 t -128.93 111.27 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 -172.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 33.0 t -104.64 120.88 42.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.772 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mp -113.85 123.84 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 30.8 m -115.97 148.85 39.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.807 0.337 . . . . 0.0 111.316 -172.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.11 46.88 55.98 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 114.009 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.494 ' OE1' ' HB3' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -78.99 121.15 24.56 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.859 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 41.2 mt-10 34.79 -112.94 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -173.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -74.7 -13.89 60.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.422 -175.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 65.6 mt -84.38 37.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.176 0.512 . . . . 0.0 110.294 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.07 135.65 56.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.261 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.66 -10.46 62.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.632 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -100.1 138.51 37.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.958 0.408 . . . . 0.0 110.426 -177.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.2 m -118.29 121.08 39.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.356 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.547 HG22 ' SG ' ' A' ' 130' ' ' CYS . 21.6 t -90.09 119.81 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.06 102.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -177.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.493 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 56.8 ttp -87.09 110.84 20.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.5 m -107.72 90.36 6.17 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.171 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 58.3 Cg_endo -75.2 142.35 27.17 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.437 2.091 . . . . 0.0 111.826 176.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.808 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.545 176.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -103.95 123.42 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.625 0.25 . . . . 0.0 110.351 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -95.07 134.74 37.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -113.28 121.99 46.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.159 0.505 . . . . 0.0 111.472 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -131.77 113.32 13.38 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.253 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.5 114.58 28.97 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -104.43 105.22 15.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.147 0.499 . . . . 0.0 110.678 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 4.5 tp -135.68 95.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.019 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.97 -20.71 59.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.405 -167.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.5 p -99.34 -15.49 18.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -145.7 80.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.776 0.322 . . . . 0.0 111.045 -171.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.8 m -59.77 -24.94 64.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.828 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.05 -32.82 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.82 -41.42 83.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -54.44 -41.35 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.861 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -48.14 24.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.547 ' SG ' HG22 ' A' ' 99' ' ' VAL . 42.0 t -62.27 -52.81 62.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.115 -174.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.88 -33.46 75.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.121 0.486 . . . . 0.0 110.617 -175.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.98 -38.6 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.161 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 75.8 t -80.97 -46.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -71.57 -18.6 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.358 178.257 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m120 . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 120.494 0.188 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.17 -30.59 69.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.612 0.244 . . . . 0.0 111.277 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.4 -43.07 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' O ' HD13 ' A' ' 33' ' ' LEU . 38.4 ttm180 -66.59 -36.63 83.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.759 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -57.05 -46.28 82.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.097 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.89 75.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.808 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.19 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.062 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 29' ' ' ARG . 4.7 mp -63.99 -41.0 97.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.161 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -66.85 -37.25 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.87 -41.93 82.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.1 -39.89 95.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.144 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.2 tp -62.89 -41.93 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.464 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -68.0 -30.19 69.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.0 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.624 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 54.3 m -75.19 -27.48 59.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.17 0.509 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -70.03 -33.99 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.593 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 87.3 t -50.46 -51.96 59.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.624 ' HD2' ' O ' ' A' ' 39' ' ' THR . 47.1 Cg_exo -58.31 -25.44 72.67 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.258 1.972 . . . . 0.0 113.24 176.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.27 -34.59 61.37 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.524 0.678 . . . . 0.0 109.19 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 39.2 mtm180 -61.21 -34.16 74.64 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.195 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.608 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 25.6 m -50.84 -40.36 55.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.57 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.26 80.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.35 -41.25 73.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.329 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 44.7 mm-40 -64.41 -35.07 79.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.433 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 45' ' ' THR . 95.9 mt -61.42 -45.75 92.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.96 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.15 -45.62 76.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.568 177.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.07 71.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.752 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.6 tp -81.47 -21.54 38.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.969 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -78.45 -48.19 15.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -110.05 -13.68 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.62 -19.75 3.08 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 119.993 -0.337 . . . . 0.0 113.534 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.73 145.16 16.86 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.376 165.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 85.0 mt -74.92 -9.0 58.12 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.458 0.303 . . . . 0.0 111.713 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.4 -34.69 58.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.024 0.44 . . . . 0.0 111.741 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.9 p -82.55 -7.35 59.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.238 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 24.1 m -89.16 70.62 8.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 110.524 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -110.26 152.13 26.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.05 85.45 0.9 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.356 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.32 15.98 2.94 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.526 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 m -149.42 159.71 44.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.903 0.352 . . . . 0.0 110.802 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 54.7 41.21 32.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.158 0.583 . . . . 0.0 112.035 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.44 -19.17 25.09 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.172 176.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 60' ' ' CYS . 34.9 mt -84.42 120.96 75.0 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.12 156.39 33.74 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.316 2.011 . . . . 0.0 112.167 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -54.02 136.64 57.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.327 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 30.5 Cg_endo -62.35 156.15 53.0 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.101 2.534 . . . . 0.0 112.867 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.3 p -116.31 162.39 17.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.999 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.9 p -112.14 124.33 52.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.7 p -89.46 177.58 6.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.43 -43.62 68.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -98.87 16.52 22.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG22 HE22 ' A' ' 91' ' ' GLN . 98.4 t -104.75 129.61 57.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -92.78 -42.07 9.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -154.38 160.96 41.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.051 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -160.4 156.93 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.523 -176.392 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 77.6 p -157.21 141.68 16.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.868 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 86' ' ' VAL . 34.4 t -123.12 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.11 109.7 5.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.456 . . . . 0.0 110.083 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 54.25 41.34 32.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.237 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.76 -22.87 8.35 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 113.096 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.499 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 44.0 t -69.93 134.04 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 80' ' ' SER . 24.4 m -135.08 119.88 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.527 0.68 . . . . 0.0 110.872 -174.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.3 m -103.51 120.69 41.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.343 175.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 88' ' ' LEU . 1.8 mm? -114.44 111.19 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.113 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.504 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 33.3 m -106.49 148.16 28.52 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.536 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.75 47.84 82.47 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.436 -178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 25.2 tp60 -89.06 126.16 35.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 54.44 -141.45 0.86 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.172 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -65.49 -12.43 52.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.046 0.45 . . . . 0.0 111.469 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 35.7 mt -80.76 40.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.166 0.586 . . . . 0.0 110.858 -173.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -55.57 138.45 46.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.065 0.46 . . . . 0.0 110.535 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.25 -19.69 21.28 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.662 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.8 tt -88.93 139.38 30.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t -120.09 123.28 43.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.977 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 87' ' ' SER . 23.7 t -96.11 126.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.96 102.73 14.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 38.6 ttm -98.61 110.65 23.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.936 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 26.2 m -111.84 97.79 39.09 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.945 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.499 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 23.1 Cg_endo -64.2 129.87 25.5 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.064 1.843 . . . . 0.0 110.977 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.364 -177.154 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.829 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' PRO . 21.4 m-90 -112.71 135.4 53.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 0.0 111.62 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.98 120.48 31.23 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -109.32 140.05 43.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.05 0.453 . . . . 0.0 110.852 -177.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -142.21 124.63 15.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.609 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -104.76 114.54 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -109.34 105.88 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -135.43 104.21 4.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.252 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -73.05 -38.39 66.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -168.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -98.65 0.64 45.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -145.67 75.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.495 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.5 m -59.24 -19.93 49.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.676 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.5 -32.8 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.188 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 56.7 tt0 -61.09 -48.36 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 177.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.23 -33.58 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.286 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.14 -41.96 60.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.002 0.43 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.416 ' HB2' HD13 ' A' ' 94' ' ' LEU . 48.8 t -64.81 -52.4 56.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.107 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 12.2 pt-20 -61.84 -24.15 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -178.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.17 -51.28 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.882 0.372 . . . . 0.0 110.695 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.53 -48.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.414 0.626 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -81.62 24.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.892 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 121.85 0.833 . . . . 0.0 112.662 -171.157 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.681 0.277 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.21 -74.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.947 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 56.32 51.2 11.91 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.764 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.37 -34.08 77.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.935 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.63 -49.37 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 44.9 ttp180 -67.66 -37.38 82.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.385 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.3 -48.03 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.52 70.92 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.9 77.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.534 0.683 . . . . 0.0 109.665 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.5 mt -65.54 -33.57 76.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.92 176.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 51.1 m -63.9 -42.77 97.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.076 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.08 -35.93 79.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.5 tpp -60.33 -43.79 96.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.671 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.15 -39.22 93.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.431 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.8 mm-40 -66.87 -24.51 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.591 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 27.1 m -75.13 -32.73 61.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.206 0.527 . . . . 0.0 110.09 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 25.7 t80 -70.21 -34.65 73.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.806 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 54.9 t -45.9 -53.41 21.15 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.4 Cg_exo -57.79 -36.7 98.2 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.76 1.64 . . . . 0.0 112.587 177.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -71.66 -25.76 62.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.245 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -58.03 -47.1 84.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.249 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -53.15 -42.04 65.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.504 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.421 0.629 . . . . 0.0 110.338 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.99 -45.82 95.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.948 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.37 -41.22 85.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.348 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.87 -44.08 91.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.85 -60.77 3.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.588 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.37 -29.21 65.83 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.19 -47.82 12.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.764 0.316 . . . . 0.0 111.496 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -77.22 -43.3 34.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -89.6 -6.67 56.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.671 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.3 19.79 57.81 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.155 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.96 140.72 10.92 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.647 -1.264 . . . . 0.0 111.585 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.3 mt -78.48 -26.27 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.907 0.854 . . . . 0.0 109.319 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.0 t70 -61.98 -25.53 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.125 -175.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.0 p -87.65 -7.47 57.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.214 0.531 . . . . 0.0 111.447 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 m -89.11 57.64 4.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.215 -172.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -104.93 151.65 23.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.058 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.64 119.39 8.31 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.429 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 5.35 32.6 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.669 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -148.61 165.97 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.892 0.346 . . . . 0.0 110.315 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 53.46 39.47 30.01 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.85 -13.52 48.0 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.752 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 38.8 mt -82.48 127.45 70.7 Favored Pre-proline 0 N--CA 1.447 -0.575 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 33.7 Cg_exo -57.91 159.71 17.19 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.772 2.314 . . . . 0.0 112.427 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -76.71 141.79 69.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.757 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.07 122.97 12.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.221 1.947 . . . . 0.0 111.497 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -149.82 179.44 8.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.288 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 p -129.74 126.53 38.44 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.165 0.507 . . . . 0.0 110.925 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.2 p -80.31 177.0 9.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -55.01 -43.58 73.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.845 0.293 . . . . 0.0 111.642 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -88.08 -18.96 27.75 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.466 -0.493 . . . . 0.0 112.085 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.44 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 57.0 t -81.42 127.43 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.143 0.496 . . . . 0.0 110.419 -176.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -85.98 -43.49 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.516 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.68 143.47 1.71 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.711 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 87' ' ' SER . 11.1 ptp -159.8 140.52 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.539 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 16.5 m -126.92 148.44 50.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.68 112.56 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.98 110.82 9.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 0.0 110.617 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 59.4 mmtt 54.22 40.18 31.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.419 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.08 -24.52 6.06 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.06 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.69 136.64 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 80' ' ' SER . 29.3 m -133.44 122.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.515 0.674 . . . . 0.0 110.448 -175.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 4.6 p -101.67 126.25 48.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.847 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -102.93 126.96 50.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.882 -1.053 . . . . 0.0 108.253 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -121.33 135.21 55.12 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.867 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.15 39.52 42.27 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.358 -0.837 . . . . 0.0 113.662 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.44 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 20.5 tp60 -82.48 127.1 32.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -174.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 60.68 -141.27 0.54 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.22 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -63.74 -12.67 36.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 130' ' ' CYS . 49.5 mt -81.25 37.44 0.45 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 111.284 -171.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -54.73 132.84 46.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.67 -20.55 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.708 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.559 HD11 ' SG ' ' A' ' 130' ' ' CYS . 9.8 tt -87.82 143.28 27.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.201 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 18.8 m -128.96 125.07 36.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.995 176.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 87' ' ' SER . 63.7 t -100.24 130.48 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.11 104.81 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.902 0.382 . . . . 0.0 110.423 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.524 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 39.7 tpp -91.24 110.9 22.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.608 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.3 m -115.43 93.79 37.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.701 0.286 . . . . 0.0 111.398 -176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.446 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 38.0 Cg_endo -68.09 135.86 36.01 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.802 2.334 . . . . 0.0 112.603 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 112' ' ' THR . . . -107.49 145.7 16.13 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.681 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -140.1 66.51 1.39 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -123.74 96.08 4.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.574 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -64.38 -29.01 70.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.643 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -26.74 65.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.452 ' HB2' HG22 ' A' ' 111' ' ' VAL . 90.4 m-20 -101.8 3.51 39.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.15 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.06 32.95 63.4 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.186 -0.916 . . . . 0.0 113.017 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 109' ' ' ASN . 32.1 m -120.66 132.66 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.135 0.493 . . . . 0.0 111.614 -176.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 104' ' ' GLY . 29.8 m -155.69 81.38 1.02 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.449 176.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . -154.19 -175.74 25.75 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.764 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.524 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 22.2 m-90 -109.91 122.28 47.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.747 0.273 . . . . 0.0 110.544 -178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.48 133.33 36.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.125 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtm-85 -115.86 142.07 47.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.928 0.394 . . . . 0.0 111.45 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -145.84 140.04 26.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.698 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.1 m -107.65 116.32 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.449 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -110.41 102.29 10.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.135 0.493 . . . . 0.0 109.77 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.6 tp -138.49 100.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.455 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -75.82 -34.9 60.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.8 p -95.93 -9.52 31.04 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -142.81 85.92 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -60.67 -28.02 68.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.633 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.3 85.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.947 0.403 . . . . 0.0 111.388 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.74 -32.1 70.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.126 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.54 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 51.4 tt0 -63.01 -40.75 98.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.187 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -54.2 -36.92 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.356 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.78 -48.34 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' HD11 ' A' ' 97' ' ' LEU . 20.7 p -70.88 -42.18 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.307 -175.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.4 -23.79 67.02 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.032 0.208 . . . . 0.0 110.947 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.2 -49.43 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.917 0.389 . . . . 0.0 110.423 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 33' ' ' LEU . 91.7 t -82.88 -46.51 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.27 0.557 . . . . 0.0 111.207 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -85.82 24.07 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.781 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -50.83 140.11 15.66 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.609 -170.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.441 ' HB2' ' HB3' ' A' ' 141' ' ' LEU . 7.7 p90 -135.33 129.07 32.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.305 -169.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.16 157.61 25.23 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.72 -38.11 63.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.113 0.483 . . . . 0.0 111.261 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.15 53.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.001 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -115.41 24.15 11.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.318 0.58 . . . . 0.0 111.229 -173.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 136' ' ' PHE . 4.5 pp -118.06 139.05 51.79 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.941 173.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.11 126.73 84.94 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.49 132.79 28.19 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.298 1.998 . . . . 0.0 112.384 -174.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 144' ' ' ARG . 12.3 mmm180 -127.39 137.98 52.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.493 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -143.39 158.4 27.26 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.72 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.2 m -96.92 117.75 31.81 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 74.11 -34.6 0.92 Allowed Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.637 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.7 mt -103.36 87.44 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.436 0.618 . . . . 0.0 111.438 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -113.79 -31.91 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.855 170.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -69.49 136.09 51.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.571 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -102.25 111.28 23.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.131 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -78.23 84.19 4.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.038 0.446 . . . . 0.0 110.235 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -99.94 -36.71 9.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.201 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -80.96 106.67 13.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.885 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.362 -178.208 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 49.66 44.27 24.52 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.266 0.555 . . . . 0.0 111.826 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 31.0 p30 -140.64 19.73 2.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.375 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -74.02 -40.79 62.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.442 -172.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.38 -34.3 74.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.207 0.527 . . . . 0.0 109.766 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.8 ttp180 -67.45 -33.5 75.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 176.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 65.5 mttm -56.6 -50.43 71.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.195 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.89 82.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -62.34 -45.63 92.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.606 . . . . 0.0 110.132 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.5 mt -67.85 -32.66 73.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.031 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.1 m -64.65 -36.98 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.82 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.04 -39.14 83.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.83 -39.84 95.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.063 176.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.69 -43.0 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.33 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -68.65 -27.48 66.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.529 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.597 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 41.8 m -75.27 -30.52 60.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.301 0.572 . . . . 0.0 110.059 173.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 101' ' ' MET . 39.4 t80 -70.31 -34.23 72.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.951 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 77.9 t -50.16 -50.79 67.75 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.597 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.2 Cg_exo -56.68 -31.8 88.71 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.968 1.779 . . . . 0.0 112.955 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.24 -31.55 62.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.46 0.647 . . . . 0.0 109.631 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 98.8 mtt180 -58.55 -36.15 73.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.615 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.9 m -52.01 -42.49 63.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.121 0.263 . . . . 0.0 111.207 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 110.065 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.15 -42.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.16 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 43.2 mt-10 -65.58 -39.74 91.96 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -58.98 -44.25 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.381 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.25 -52.82 60.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.127 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.644 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -55.52 -27.9 51.52 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.705 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.43 -39.18 22.97 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.092 -0.38 . . . . 0.0 111.413 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.71 -44.34 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.767 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -107.63 -13.73 14.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 110.941 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 65.73 -20.46 0.15 Allowed Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.442 -0.799 . . . . 0.0 114.079 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.65 145.74 16.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 119.668 -1.253 . . . . 0.0 113.079 164.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.602 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 31.7 mt -73.22 -3.51 27.17 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.021 0.528 . . . . 0.0 111.239 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 4.2 m-20 -48.89 -36.95 18.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.186 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -95.19 4.72 53.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 30.6 m -94.26 56.96 2.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.504 0.668 . . . . 0.0 109.691 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -104.1 137.58 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.791 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.09 102.68 1.19 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.573 -0.823 . . . . 0.0 111.623 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.8 0.25 7.17 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.765 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.2 p -148.1 169.59 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.899 0.35 . . . . 0.0 110.469 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 58.71 34.17 23.59 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.743 0.417 . . . . 0.0 112.121 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.07 -18.86 33.63 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.478 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.9 mt -81.36 126.1 77.34 Favored Pre-proline 0 N--CA 1.448 -0.563 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.3 147.31 47.15 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.431 2.087 . . . . 0.0 112.44 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.2 m -46.49 136.52 7.29 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.238 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.29 135.76 53.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.98 2.453 . . . . 0.0 112.177 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 t -133.8 174.7 10.17 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.401 HG22 HG12 ' A' ' 76' ' ' VAL . 32.4 p -128.82 126.51 40.0 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.024 0.44 . . . . 0.0 110.395 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.432 ' OG1' HG23 ' A' ' 76' ' ' VAL . 52.9 p -72.14 177.53 4.37 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -55.02 -42.92 73.2 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.254 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -86.82 -18.52 30.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 72.1 t -82.08 129.51 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.176 0.513 . . . . 0.0 110.428 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 t -89.31 -40.31 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.924 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.0 139.36 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.9 ptm -166.93 143.68 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.365 0.416 . . . . 0.0 110.597 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -137.47 153.58 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.21 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.0 116.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.071 -176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.437 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -133.73 111.66 10.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 34.5 mmtp 53.47 42.61 31.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.104 -177.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.96 -23.75 3.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-N 116.444 -0.343 . . . . 0.0 112.967 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 52.3 t -66.22 139.18 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.2 t -135.55 110.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.967 0.413 . . . . 0.0 109.903 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 9.0 t -105.15 132.29 51.55 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.331 0.586 . . . . 0.0 111.073 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.93 142.43 45.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 m -123.48 130.28 52.46 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.96 0.409 . . . . 0.0 111.683 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 49.66 46.27 38.5 Favored Glycine 0 C--N 1.332 0.314 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.709 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.541 ' NE2' ' HG3' ' A' ' 92' ' ' GLU . 46.4 tp60 -69.81 124.28 23.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.534 0.207 . . . . 0.0 110.92 -175.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.541 ' HG3' ' NE2' ' A' ' 91' ' ' GLN . 44.9 mt-10 46.02 -117.29 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.142 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 m -74.38 -14.34 60.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.588 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 58.4 mt -84.94 38.74 0.72 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.272 0.558 . . . . 0.0 110.364 -172.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.8 136.27 55.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.568 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.49 -18.94 16.28 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.659 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.5 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.7 tt -88.2 137.74 32.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 m -115.31 125.53 53.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.407 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 87' ' ' SER . 36.6 t -101.84 133.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.71 105.55 16.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.33 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 35.5 tpp -89.52 110.54 21.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 m -116.08 106.59 49.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.608 0.242 . . . . 0.0 111.513 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.33 140.35 69.97 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 123.039 2.492 . . . . 0.0 112.413 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.84 167.52 16.34 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.387 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -108.34 113.63 26.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.854 0.359 . . . . 0.0 110.467 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 109' ' ' ASN . 6.4 p-10 -147.59 54.23 1.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.553 0.692 . . . . 0.0 110.294 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -56.57 -32.81 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.735 -174.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.7 -22.4 43.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 111.742 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 106' ' ' ASP . 95.0 m-20 -90.53 -15.39 30.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.888 0.375 . . . . 0.0 111.174 -176.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.83 25.89 45.9 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.461 -0.79 . . . . 0.0 114.603 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 m -134.25 58.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.683 0.742 . . . . 0.0 110.676 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.9 m -43.53 116.02 0.88 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.802 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -114.29 158.09 14.54 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.143 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -116.77 128.73 55.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.79 124.8 33.99 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.491 ' HD2' ' HA ' ' A' ' 134' ' ' PHE . 65.7 mtm180 -109.4 140.88 42.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.812 -173.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -144.1 130.2 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.012 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 82.2 m -108.96 115.21 29.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -110.82 105.0 13.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.028 0.442 . . . . 0.0 110.871 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.66 104.48 4.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.357 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.29 -38.21 63.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -169.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.2 p -95.67 -8.81 33.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -139.89 88.41 2.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.743 -170.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 39.8 m -60.64 -26.66 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.212 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.6 98.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.65 -33.2 74.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 109.823 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.48 -39.62 94.92 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.302 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 124' ' ' SER . 27.3 mm-40 -59.62 -38.31 80.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.991 0.424 . . . . 0.0 110.889 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.87 -48.15 26.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.926 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.19 -52.54 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.394 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.5 tt0 -64.47 -22.82 67.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.042 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.42 -49.19 78.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 0.0 109.806 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.1 t -83.89 -48.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.518 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.601 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 92.7 m-85 -90.75 24.72 2.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.402 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 27.4 ptt180 -51.34 146.1 7.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.069 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -86.08 124.82 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.811 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -83.63 145.24 28.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.27 0.557 . . . . 0.0 110.592 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -86.32 5.08 36.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.936 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.17 -49.37 9.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.683 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -81.02 -27.44 35.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 82.1 mt -87.16 92.82 9.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.77 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.19 123.88 87.51 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.483 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.39 144.21 62.51 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.686 2.257 . . . . 0.0 111.587 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -75.57 99.19 4.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.09 0.472 . . . . 0.0 110.802 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -134.03 -158.78 8.69 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.466 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 38.7 m -78.81 153.21 30.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.006 0.431 . . . . 0.0 111.031 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.47 -26.2 10.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.158 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.51 95.13 6.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.39 -36.33 16.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.225 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -89.07 131.09 35.39 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.555 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -84.7 123.84 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.963 0.411 . . . . 0.0 110.127 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -72.59 140.27 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.44 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -137.38 99.44 3.97 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.414 0.626 . . . . 0.0 110.348 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -123.51 147.15 47.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.137 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.041 -179.623 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.456 ' C ' HD22 ' A' ' 26' ' ' ASN . 43.9 tt0 -75.56 -64.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.362 -177.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.456 HD22 ' C ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -120.82 11.16 11.07 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.246 -0.283 . . . . 0.0 111.586 -179.457 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -62.92 -40.02 96.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.534 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.76 -41.9 71.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.986 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 25.0 ttp180 -62.84 -40.18 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.24 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.67 -47.58 77.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.37 78.1 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.309 0.576 . . . . 0.0 110.132 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HB2' HG21 ' A' ' 133' ' ' VAL . 87.3 mt -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.474 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.499 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 86.9 m -64.56 -39.93 94.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.082 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.53 -38.67 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.974 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.878 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.64 -41.83 91.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 34' ' ' THR . 30.6 mm-40 -64.53 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.602 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.515 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 m -75.35 -22.72 57.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.465 0.65 . . . . 0.0 110.403 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 30.2 t80 -70.44 -34.17 72.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.846 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.584 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 98.0 t -54.38 -50.63 83.95 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.984 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 50.9 Cg_exo -56.22 -24.54 51.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.27 1.98 . . . . 0.0 113.109 173.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 30.5 m-85 -76.12 -39.45 55.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 5.7 mmp_? -58.27 -44.17 88.27 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.451 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD23 ' A' ' 49' ' ' LEU . 13.2 m -50.77 -39.61 52.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.74 78.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.532 0.682 . . . . 0.0 110.553 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.4 -48.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.058 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 64.1 mm-40 -65.13 -37.48 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.908 0.385 . . . . 0.0 110.516 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 45' ' ' THR . 4.2 mm? -66.71 -36.21 81.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.439 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.6 t -65.88 -47.59 74.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.826 173.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -57.32 -24.25 53.86 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.619 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 tp -82.74 -39.77 21.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.949 0.404 . . . . 0.0 110.804 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -43.25 86.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.896 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -107.4 -12.47 15.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.379 0.609 . . . . 0.0 110.216 -176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 70.86 -21.47 0.6 Allowed Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.179 -0.918 . . . . 0.0 113.044 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.53 152.76 17.33 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.859 163.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 50.6 mt -73.42 -3.38 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.845 0.458 . . . . 0.0 111.433 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 6.7 m-20 -49.66 -40.39 39.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.319 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 p -86.85 -5.71 59.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.108 0.48 . . . . 0.0 111.631 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 29.3 m -91.67 57.0 3.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.378 0.608 . . . . 0.0 110.346 -173.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.594 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t70 -112.59 151.82 29.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.013 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.67 93.0 0.45 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.08 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.18 3.73 3.85 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.119 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -148.37 158.49 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.373 0.586 . . . . 0.0 111.476 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.58 47.35 18.72 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.914 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.21 -19.06 37.21 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.958 175.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -92.41 117.69 67.74 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.69 165.19 33.43 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.435 2.09 . . . . 0.0 112.438 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -45.99 142.06 4.1 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.177 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.79 134.72 64.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.081 2.521 . . . . 0.0 111.888 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -139.38 -179.96 6.19 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.9 p -132.08 126.54 34.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.12 0.485 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -77.3 176.5 8.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.17 -44.54 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -168.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -97.98 10.54 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.804 -0.56 . . . . 0.0 112.295 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.68 132.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.847 0.356 . . . . 0.0 110.126 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 m -87.07 -45.63 10.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.07 134.2 1.23 Allowed 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.056 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.6 ptm -158.53 141.5 14.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.424 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.2 t -130.99 147.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.0 119.7 60.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.594 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -133.75 108.85 8.74 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.4 mmtp 48.58 49.21 18.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.668 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.75 -24.31 4.53 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.349 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -70.7 142.63 15.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 25.4 m -133.35 117.09 26.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.492 0.663 . . . . 0.0 110.596 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 79' ' ' MET . 13.5 p -104.78 128.88 53.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.486 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.28 149.82 38.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.277 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.6 m -137.57 141.84 41.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.18 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.02 41.7 22.14 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.311 -0.859 . . . . 0.0 113.901 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.516 HE21 ' HG2' ' A' ' 92' ' ' GLU . 27.2 tp60 -73.9 123.14 23.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.786 0.293 . . . . 0.0 110.551 -174.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HG2' HE21 ' A' ' 91' ' ' GLN . 21.8 mm-40 48.14 -120.92 1.31 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.741 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.6 t -74.89 -13.63 60.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 111.28 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 71.1 mt -81.44 39.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.261 0.553 . . . . 0.0 110.535 -174.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -57.1 134.34 55.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.13 -16.18 34.78 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.617 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.3 tt -96.24 135.33 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.32 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.2 t -114.7 135.25 54.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.808 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 46.4 t -112.02 124.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.91 108.81 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 52.2 tpp -94.21 110.35 22.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.6 m -114.46 105.4 53.78 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.118 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HB2' HD11 ' A' ' 57' ' ' LEU . 16.4 Cg_exo -67.83 131.68 24.73 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.512 2.142 . . . . 0.0 111.418 173.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.83 26.49 1.12 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.728 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.446 ' HB2' ' HB2' ' A' ' 115' ' ' ALA . 67.5 t-105 -82.64 -31.64 28.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.134 0.493 . . . . 0.0 110.583 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -74.1 109.94 7.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.236 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -68.77 -26.48 65.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.057 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.99 77.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.645 -176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.63 ' HB2' ' OG1' ' A' ' 112' ' ' THR . 32.9 m-80 -101.35 -28.72 12.45 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.888 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.38 -37.36 3.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.562 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.2 m -100.42 -7.32 9.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.63 ' OG1' ' HB2' ' A' ' 109' ' ' ASN . 1.0 OUTLIER -101.36 171.3 7.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.776 0.322 . . . . 0.0 111.519 -176.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.33 110.71 0.34 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.062 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.619 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 6.0 m-90 -88.99 123.56 33.43 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 105' ' ' TRP . . . -95.77 135.84 36.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.645 0.259 . . . . 0.0 110.753 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.62 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -108.49 142.06 39.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.45 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 47.3 t-20 -142.08 120.17 12.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.267 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.1 m -105.63 115.47 30.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.15 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.9 m120 -108.09 102.27 11.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.6 tp -137.14 106.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.693 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.94 -38.62 64.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.8 p -97.12 -22.64 16.64 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -169.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.531 ' H ' HG13 ' A' ' 120' ' ' ILE . 13.1 m-20 -129.43 96.29 4.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.2 t -61.0 -29.3 69.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.313 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.31 83.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.742 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.48 -36.27 80.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.269 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.591 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 45.2 tt0 -62.24 -44.44 96.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 53.3 mt-30 -57.59 -32.08 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.24 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.12 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.477 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 30.5 p -70.52 -48.13 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.381 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 10.3 pt-20 -63.03 -25.24 68.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.714 0.292 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 19.7 t70 -69.71 -43.3 72.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 33' ' ' LEU . 88.9 t -82.59 -43.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.189 0.518 . . . . 0.0 111.183 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.23 21.81 0.88 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.065 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 133' ' ' VAL . 6.1 ptm180 -51.28 150.32 3.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.492 -173.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 141' ' ' LEU . 1.3 p90 -95.79 115.32 27.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.871 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.88 135.52 52.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.613 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -65.8 -8.85 23.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.196 -175.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.97 72.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.054 0.455 . . . . 0.0 110.279 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.2 9.25 43.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.824 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 136' ' ' PHE . 76.5 mt -123.48 107.56 11.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.363 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.09 122.55 75.94 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 121.037 0.446 . . . . 0.0 109.888 174.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.8 137.47 22.25 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.411 2.074 . . . . 0.0 112.323 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.696 ' O ' ' HB2' ' A' ' 148' ' ' LEU . 17.0 mmm180 -117.72 98.3 6.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.676 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 71.95 -174.99 42.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.09 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.7 m -101.47 123.03 44.87 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.665 -0.315 . . . . 0.0 110.572 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.32 0.29 88.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.061 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 144' ' ' ARG . 58.2 mt -102.33 90.64 3.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.813 0.339 . . . . 0.0 110.167 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -104.91 -52.25 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.789 0.328 . . . . 0.0 110.6 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -139.53 75.24 1.5 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.022 0.439 . . . . 0.0 110.129 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 148' ' ' LEU . 19.7 m-70 -103.13 109.19 20.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.287 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -176.54 -34.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.455 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -94.74 128.65 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.725 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -150.54 158.53 44.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.361 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.643 -0.694 . . . . 0.0 110.539 -177.197 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.497 0.189 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -88.92 138.68 31.19 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -125.29 35.66 4.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 76.2 t80 -64.77 -36.37 84.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.05 -38.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 0.0 109.987 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HE ' ' HB2' ' A' ' 129' ' ' ALA . 44.2 ttp180 -67.82 -34.15 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.36 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 27' ' ' TYR . 66.0 mttm -57.87 -49.17 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.325 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' O ' ' HB ' ' A' ' 34' ' ' THR . . . -61.14 -26.35 67.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.826 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.56 96.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.101 0.477 . . . . 0.0 110.028 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 94' ' ' LEU . 1.7 mm? -68.23 -31.78 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.068 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 31' ' ' ALA . 69.8 m -58.31 -45.94 87.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.07 -38.31 85.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 tpt -66.75 -40.6 88.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.413 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.7 tp -63.02 -40.8 98.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.104 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' THR . 83.1 mm-40 -67.18 -23.31 65.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.041 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.602 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 46.7 m -75.46 -34.47 60.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -70.22 -34.81 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 60.5 t -46.91 -53.16 28.34 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.602 ' HD2' ' O ' ' A' ' 39' ' ' THR . 31.5 Cg_exo -58.52 -33.41 98.02 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 112.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 47' ' ' VAL . 82.2 m-85 -72.24 -27.23 62.38 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.7 mtm180 -55.72 -47.74 76.36 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.622 0.249 . . . . 0.0 110.399 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 49' ' ' LEU . 12.4 m -52.63 -42.16 64.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.372 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.81 86.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.688 0.756 . . . . 0.0 110.061 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 43' ' ' TYR . 73.0 t -63.56 -38.86 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.482 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 48.7 mt-10 -61.36 -43.09 99.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.978 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -61.26 -45.01 96.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.8 t -68.52 -36.13 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.788 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.17 76.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -81.94 -25.4 34.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.922 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.12 -44.57 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.035 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -109.41 -12.97 14.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.351 0.596 . . . . 0.0 110.787 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.16 -18.72 12.32 Favored Glycine 0 N--CA 1.454 -0.149 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.72 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.48 151.41 18.31 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.107 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.56 -2.43 22.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.958 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 30.5 t70 -52.2 -30.22 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 p -90.01 -3.87 57.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -89.43 67.93 7.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.436 0.636 . . . . 0.0 111.056 -174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -102.85 137.6 40.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.514 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.83 108.95 2.47 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.718 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.39 -3.42 18.21 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.128 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -135.47 167.03 21.83 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.682 -0.305 . . . . 0.0 110.703 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 55.92 37.42 28.83 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.25 -2.81 60.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.689 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 56.4 mt -87.29 128.68 54.36 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 31.2 Cg_exo -59.88 164.44 11.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.749 2.299 . . . . 0.0 112.34 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -84.37 147.93 51.29 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.471 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.456 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 28.1 Cg_endo -62.71 124.55 14.31 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.85 1.7 . . . . 0.0 111.512 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -136.61 169.52 17.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.4 p -118.56 124.25 47.04 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.171 0.51 . . . . 0.0 110.518 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -82.02 177.99 8.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.374 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -53.58 -42.82 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -174.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.517 ' HB3' ' HG3' ' A' ' 92' ' ' GLU . 31.6 m-85 -92.53 -16.04 26.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.14 122.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 122.012 -0.43 . . . . 0.0 110.434 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -86.08 -31.02 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -162.39 145.31 11.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.973 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 87' ' ' SER . 4.8 ppp? -170.19 142.78 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.725 0.64 . . . . 0.0 110.151 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 70' ' ' PRO . 17.8 t -144.21 155.32 43.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.598 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 HG12 ' A' ' 86' ' ' VAL . 22.1 t -114.8 117.05 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.751 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.95 110.94 11.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.136 0.493 . . . . 0.0 110.31 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 31.4 mmtp 51.84 44.65 29.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.948 -178.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.41 -24.93 3.97 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.312 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.23 141.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.441 HG12 HG22 ' A' ' 81' ' ' VAL . 22.0 m -133.2 113.89 20.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.473 0.654 . . . . 0.0 110.487 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 79' ' ' MET . 21.1 t -104.12 123.02 46.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.812 177.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.59 158.19 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.128 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.469 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 15.9 m -144.8 146.04 31.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.681 0.276 . . . . 0.0 110.806 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.47 47.92 55.96 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.261 -0.881 . . . . 0.0 115.09 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.35 122.86 21.07 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 34.8 mt-10 43.03 -115.39 0.36 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -175.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 m -74.18 -13.65 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.459 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 33' ' ' LEU . 58.6 mt -85.19 38.54 0.73 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.087 -171.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.47 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 7.6 p30 -55.16 139.15 42.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.84 -23.87 5.55 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.971 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 10.0 tt -80.22 132.4 35.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 m -114.8 132.36 56.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.184 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.79 126.36 64.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.23 105.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.524 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 45.4 ttm -101.6 114.64 28.86 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.075 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 11.4 m -107.4 93.14 9.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.191 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 101' ' ' MET . 19.0 Cg_exo -65.81 145.75 81.53 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.588 2.192 . . . . 0.0 111.687 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.13 84.26 1.29 Allowed Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.642 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -76.91 -29.32 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -106.97 98.82 8.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.826 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -55.71 -35.24 65.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -172.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.74 -21.16 55.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -110.58 21.95 15.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.376 0.608 . . . . 0.0 110.409 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.48 -127.35 41.9 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.896 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.8 m -83.0 72.83 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -172.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.5 p -78.64 -15.93 57.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.185 0.517 . . . . 0.0 111.06 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -172.24 -177.15 41.54 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -132.97 122.8 24.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.943 0.371 . . . . 0.0 110.532 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -90.45 113.01 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -110.0 121.01 44.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -118.62 121.02 39.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.525 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 72.3 m -103.69 116.21 31.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -118.98 104.36 10.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.58 100.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.28 -38.29 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -167.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 t -89.7 -23.3 21.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -132.34 92.56 3.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.8 m -61.33 -27.59 68.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.708 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.68 76.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.068 0.461 . . . . 0.0 111.337 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.54 -32.94 70.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 109.833 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.44 -37.22 86.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.652 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -54.37 -36.15 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.293 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.407 ' HB2' ' HE ' ' A' ' 29' ' ' ARG . . . -75.17 -47.04 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.33 -52.16 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.029 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 29.4 tt0 -61.15 -25.85 67.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.509 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.71 -52.12 66.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.911 0.386 . . . . 0.0 110.62 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.64 -46.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.325 -178.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.477 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 96.0 m-85 -87.22 22.63 2.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.209 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 16.0 ptp180 -50.59 147.25 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.593 -175.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -114.96 114.62 25.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.4 -174.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.81 138.4 57.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.861 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -66.84 -20.21 65.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.745 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.9 -18.22 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.767 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -90.37 -17.73 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.683 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.9 mt -81.26 -162.36 0.49 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.863 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.3 p -102.31 118.2 59.46 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.219 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.09 138.03 22.3 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.524 2.149 . . . . 0.0 111.904 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -102.67 108.13 19.28 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 100.66 87.98 1.99 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.7 m -56.57 120.63 8.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.955 0.407 . . . . 0.0 111.422 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.61 -4.01 75.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.45 177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.68 90.87 4.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.712 0.292 . . . . 0.0 110.415 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.98 -27.39 60.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -83.28 94.2 7.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.448 173.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -82.1 113.32 19.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.088 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -152.95 -63.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 54.89 60.92 3.2 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.527 0.517 . . . . 0.0 112.388 176.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -162.63 103.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.006 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 10.4 p80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.291 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.534 0.207 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.84 -61.69 1.79 Allowed 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 55.42 76.29 0.28 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.981 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -62.03 -33.94 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 -174.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.1 -41.44 86.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.3 ttm180 -66.94 -38.57 86.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.108 176.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.92 -44.41 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.127 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.55 74.81 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.06 81.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.459 0.647 . . . . 0.0 109.595 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.2 mt -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.79 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -69.59 -37.6 76.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.25 -46.6 83.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.311 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 20.1 ptm -67.09 -35.56 80.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.111 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.5 tp -63.56 -42.24 98.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.294 175.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -65.64 -22.95 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.403 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.568 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.8 m -73.83 -37.28 64.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.399 0.618 . . . . 0.0 109.919 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 37.0 t80 -70.89 -34.34 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.233 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.0 t -47.23 -52.61 33.96 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 39' ' ' THR . 40.3 Cg_exo -58.32 -36.02 98.09 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.826 1.684 . . . . 0.0 112.39 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.466 ' O ' HG23 ' A' ' 47' ' ' VAL . 52.5 m-85 -68.51 -28.04 66.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.982 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.553 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 52.6 mtm180 -58.24 -46.24 86.29 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.496 ' O ' HD23 ' A' ' 49' ' ' LEU . 30.9 m -53.32 -44.1 68.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.454 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.24 85.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.424 0.63 . . . . 0.0 110.183 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 43' ' ' TYR . 76.4 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.98 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.0 -41.25 97.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.473 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -65.22 -41.77 94.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.417 ' SG ' HG23 ' A' ' 59' ' ' THR . 27.8 t -63.55 -50.65 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.991 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.15 -30.56 49.57 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.931 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -26.47 59.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.999 0.428 . . . . 0.0 110.784 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.66 -46.38 69.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -110.29 -12.48 14.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.131 0.491 . . . . 0.0 111.298 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 -19.94 12.8 Favored Glycine 0 C--N 1.321 -0.253 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.057 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.37 159.68 18.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.321 -0.942 . . . . 0.0 113.215 165.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 103' ' ' PRO . 44.2 mt -74.04 -2.81 25.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.419 0.688 . . . . 0.0 112.329 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.99 -38.39 36.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 ' SG ' ' A' ' 50' ' ' CYS . 8.9 t -82.31 -3.21 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 36.7 m -97.72 60.8 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.273 0.558 . . . . 0.0 110.953 -174.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.96 143.15 42.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.987 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.32 118.54 11.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.235 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.84 16.62 47.58 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.411 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.8 t -135.1 147.05 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 23.9 m120 54.55 38.5 29.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.12 -10.41 53.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.764 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 67.1 mt -71.67 131.55 86.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 45.7 Cg_exo -57.64 169.39 2.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.995 2.463 . . . . 0.0 112.866 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 p -91.47 152.01 43.18 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.302 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -49.03 124.81 12.07 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.804 2.336 . . . . 0.0 111.646 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.9 t -143.31 171.35 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.973 -172.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.415 HG22 HG12 ' A' ' 76' ' ' VAL . 26.0 p -138.04 144.71 41.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.112 0.482 . . . . 0.0 110.837 -177.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 p -88.54 177.89 6.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -53.37 -41.81 66.23 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -171.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.4 25.06 10.07 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.133 -0.354 . . . . 0.0 111.799 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.417 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 93.3 t -116.88 131.82 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 109.947 174.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 m -82.65 -52.28 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.741 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.46 140.15 9.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.86 -0.155 . . . . 0.0 110.87 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.1 mtp -141.3 140.83 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.087 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 55.3 m -130.92 136.91 49.02 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.98 118.65 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.28 109.67 6.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.114 0.483 . . . . 0.0 110.117 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 49.6 48.62 21.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.039 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.81 -24.38 3.87 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.468 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.16 130.69 35.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.6 m -127.91 120.12 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.551 0.691 . . . . 0.0 110.364 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 36.1 t -104.26 130.93 52.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.743 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 135.06 54.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.686 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 m -121.08 139.0 53.92 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.912 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.66 46.51 30.57 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.861 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.505 HE21 ' HG2' ' A' ' 92' ' ' GLU . 32.1 tp60 -76.83 125.2 28.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.688 0.244 . . . . 0.0 110.903 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.505 ' HG2' HE21 ' A' ' 91' ' ' GLN . 17.5 mm-40 50.47 -125.11 2.22 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.532 0.333 . . . . 0.0 111.473 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -71.01 -13.81 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.385 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' ' 126' ' ' LEU . 53.5 mt -85.08 38.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.483 -172.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -53.38 132.38 39.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.653 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.67 -21.53 22.01 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.635 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.4 tt -86.28 130.94 34.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.2 m -113.43 120.96 42.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 87' ' ' SER . 30.7 t -92.47 129.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.35 105.07 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.467 ' HG2' ' CE2' ' A' ' 40' ' ' PHE . 40.1 tpp -94.72 110.84 22.64 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 35.6 m -112.02 96.06 32.42 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.947 0.403 . . . . 0.0 110.957 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 101' ' ' MET . 16.5 Cg_exo -67.55 160.69 46.84 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.952 2.435 . . . . 0.0 112.098 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.84 22.44 49.62 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.898 175.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.578 ' NE1' ' HA ' ' A' ' 140' ' ' ASN . 38.8 t-105 -114.65 99.27 7.4 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.413 0.625 . . . . 0.0 110.247 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -147.05 130.81 16.99 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.777 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -69.45 -28.31 66.0 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.913 -172.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.77 -58.11 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -111.85 -30.04 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.76 -66.38 0.24 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.179 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -73.72 169.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 122.944 -0.15 . . . . 0.0 110.603 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m 58.13 55.34 5.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.779 0.799 . . . . 0.0 110.142 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -165.09 132.35 2.65 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.553 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 17.7 m-90 -121.01 123.22 41.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.226 0.513 . . . . 0.0 111.663 -175.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -89.26 113.63 24.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 136' ' ' PHE . 80.8 mtm180 -109.95 131.42 55.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.571 -174.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -144.49 132.61 21.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.84 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.2 m -104.96 116.44 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.922 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -105.36 103.83 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.9 tp -136.26 105.33 4.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.644 174.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -74.09 -40.65 62.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.4 t -108.82 15.42 23.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -170.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.496 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 9.8 m-20 -147.95 82.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.114 -0.366 . . . . 0.0 111.472 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.63 -31.47 70.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.119 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.45 96.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 0.0 111.17 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 94' ' ' LEU . 90.1 mt -67.81 -32.45 73.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.14 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 60.1 tt0 -65.32 -45.2 85.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.315 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -52.78 -41.22 63.9 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.234 0.334 . . . . 0.0 111.806 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.75 -46.97 33.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.084 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.35 -52.27 54.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 3.7 pt-20 -65.12 -23.65 67.2 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.862 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.83 -43.08 76.28 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.778 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -83.33 -47.21 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.442 0.639 . . . . 0.0 111.172 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -87.01 26.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.875 0.87 . . . . 0.0 110.99 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 18.4 ptp180 -49.93 141.92 9.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.028 0.918 . . . . 0.0 113.256 -169.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 116' ' ' ARG . 0.5 OUTLIER -95.05 111.71 23.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.49 -178.199 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.11 150.44 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.727 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -69.68 -9.25 53.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.141 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.81 36.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.44 . . . . 0.0 110.209 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.578 ' HA ' ' NE1' ' A' ' 105' ' ' TRP . 57.3 m-20 -86.98 -17.3 33.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.884 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.27 -174.95 3.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.978 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.26 130.82 22.3 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.176 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.22 133.35 43.21 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.243 1.962 . . . . 0.0 111.541 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -121.48 132.29 54.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.162 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 77.17 91.53 0.26 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.893 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 m -68.7 121.01 15.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.743 0.306 . . . . 0.0 110.429 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.18 -32.24 6.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.286 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 81.5 mt -94.95 89.15 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.278 0.561 . . . . 0.0 110.352 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -97.8 -31.28 12.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.481 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -99.55 126.53 45.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.394 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -81.72 105.54 12.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.118 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -138.8 -61.18 0.58 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.059 0.457 . . . . 0.0 109.97 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -97.32 62.99 1.79 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 34.2 m170 66.79 -162.33 0.24 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.246 -176.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.763 -0.636 . . . . 0.0 109.577 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.513 0.197 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 49.87 72.75 0.3 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.09 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -79.45 74.05 6.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.626 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -66.02 -36.08 82.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.93 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.38 -40.74 81.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.052 0.453 . . . . 0.0 109.785 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.3 ttm180 -66.58 -38.83 87.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.925 174.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -56.97 -49.34 76.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.578 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.73 -38.52 75.46 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.559 0.219 . . . . 0.0 111.56 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.77 86.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 73.5 mt -68.28 -38.97 82.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.088 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 34.5 m -65.25 -38.76 91.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.67 -39.53 84.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.7 tpt -61.52 -41.91 98.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.3 tm? -62.63 -47.24 84.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.594 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.1 mm-40 -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.6 m -75.42 -28.45 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.35 0.595 . . . . 0.0 110.7 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 9.3 t80 -71.1 -34.89 71.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.232 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.6 t -53.72 -48.61 92.77 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.527 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 64.9 Cg_exo -53.33 -28.97 45.65 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.319 2.013 . . . . 0.0 113.087 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -75.69 -39.8 56.88 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.594 0.711 . . . . 0.0 109.147 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 18.4 mmm180 -60.28 -40.87 91.95 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.873 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 49' ' ' LEU . 26.1 m -51.64 -42.18 61.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.73 92.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.594 0.711 . . . . 0.0 110.295 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.76 -40.05 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 70.1 mm-40 -66.61 -34.75 78.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.944 0.402 . . . . 0.0 110.28 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 45' ' ' THR . 2.9 mm? -66.18 -45.37 81.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.808 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 p -70.0 -36.13 74.9 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.729 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.79 65.19 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.483 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.19 -31.42 38.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.37 -33.99 76.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.983 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -108.97 -12.95 14.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.4 0.619 . . . . 0.0 110.317 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.24 -19.42 5.6 Favored Glycine 0 CA--C 1.52 0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.828 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.26 151.5 17.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.215 162.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.75 -2.19 22.34 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 111.598 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 20.2 t70 -48.1 -35.26 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -76.22 -10.6 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -93.38 69.25 4.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.375 0.607 . . . . 0.0 110.846 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.27 131.3 46.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.398 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.69 88.18 0.36 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.372 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.67 -1.61 4.37 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.468 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -140.65 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.901 0.351 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 54.67 39.3 31.18 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.89 20.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.73 121.45 81.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -77.03 149.48 28.75 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.051 1.834 . . . . 0.0 112.265 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -45.55 136.95 5.62 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HG3' ' HA ' ' A' ' 80' ' ' SER . 9.1 Cg_endo -50.17 123.7 11.5 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.264 2.643 . . . . 0.0 112.515 -172.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -95.04 128.58 41.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.305 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.41 HG22 HG12 ' A' ' 76' ' ' VAL . 22.2 p -103.28 127.08 50.71 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.219 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.555 ' OG1' HG23 ' A' ' 76' ' ' VAL . 28.4 p -80.14 177.44 8.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.301 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.604 ' H ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -53.84 -35.14 61.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -95.71 -14.92 23.0 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.555 HG23 ' OG1' ' A' ' 73' ' ' THR . 88.7 t -81.46 122.92 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.475 0.655 . . . . 0.0 110.219 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -86.32 -43.35 12.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.299 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -168.94 139.69 2.39 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.221 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.4 ptm -165.9 140.59 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.827 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 37.2 m -131.14 149.79 52.43 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.03 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.4 109.28 10.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.034 0.445 . . . . 0.0 109.959 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 72.5 mmtt 51.37 43.11 29.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.852 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.13 -24.2 4.85 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.421 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.79 137.17 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 80' ' ' SER . 59.5 t -134.12 115.15 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.979 0.418 . . . . 0.0 110.204 -173.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 13.9 m -103.0 122.55 44.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.754 176.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mp -115.54 119.4 36.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.175 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.0 m -114.82 143.7 44.68 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.915 0.388 . . . . 0.0 111.881 -172.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 49.5 44.39 36.81 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 114.982 -1.008 . . . . 0.0 114.111 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -86.5 127.44 34.87 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 60.74 -139.4 0.57 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.4 m -65.9 -13.15 59.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.872 0.367 . . . . 0.0 111.474 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.6 mt -82.11 39.1 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.164 -171.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.414 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 54.5 t30 -55.36 135.89 49.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.33 -15.65 33.36 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.716 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -91.33 137.3 32.47 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -123.63 121.24 35.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.843 0.354 . . . . 0.0 110.094 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 87' ' ' SER . 50.4 t -91.34 130.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.45 103.62 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.597 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 17.2 ttt -96.02 110.38 22.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.283 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.0 m -107.53 94.2 11.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.294 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 114' ' ' TRP . 81.8 Cg_endo -77.88 162.41 29.49 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.402 2.735 . . . . 0.0 113.514 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.3 -174.86 16.09 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.217 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 49.3 p-90 -119.78 129.72 54.6 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -147.44 115.94 6.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.997 0.427 . . . . 0.0 110.633 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.66 -32.8 72.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.663 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.77 -47.3 31.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -85.35 -15.06 44.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.293 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.45 35.21 26.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.193 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.48 134.72 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.664 0.269 . . . . 0.0 110.318 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.0 m -141.04 87.74 2.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.303 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.04 -85.3 0.62 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.068 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.501 ' HB3' ' HE2' ' A' ' 101' ' ' MET . 19.8 m-90 -142.35 122.07 13.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.29 112.8 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 136' ' ' PHE . 87.0 mtm180 -110.42 131.92 54.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.977 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 16.7 t-20 -142.03 134.05 27.45 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.655 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 85.0 m -102.79 116.08 31.87 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -107.24 104.4 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.883 0.373 . . . . 0.0 110.503 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.495 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 6.1 tp -136.17 102.08 2.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.356 0.598 . . . . 0.0 109.583 174.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -73.55 -38.37 65.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -167.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.9 p -99.99 -2.98 33.13 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -171.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.495 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.4 m-20 -139.84 83.53 1.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.737 -171.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 m -60.6 -28.42 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.37 85.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 94' ' ' LEU . 86.3 mt -70.36 -35.65 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.26 -43.12 99.55 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.814 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -50.39 63.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 0.0 110.386 -176.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.52 -40.32 70.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.348 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.72 -47.46 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.756 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.85 -25.47 65.06 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.484 0.714 . . . . 0.0 110.884 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -69.21 -50.84 43.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.008 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.7 -47.93 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.46 0.648 . . . . 0.0 111.586 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.448 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.6 m-85 -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 110.856 -176.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 135' ' ' ARG . 13.1 ptt-85 -48.45 150.4 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.864 -1.062 . . . . 0.0 113.285 -173.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.616 ' HB2' HD21 ' A' ' 141' ' ' LEU . 0.9 OUTLIER -91.46 110.45 21.76 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.429 171.198 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.11 142.97 54.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.843 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.58 -20.93 61.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.094 -172.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -74.35 -17.65 60.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.26 0.553 . . . . 0.0 110.488 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -108.58 15.32 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.592 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 136' ' ' PHE . 41.4 mt -110.02 -179.6 3.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.179 -177.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.1 t -105.26 119.15 53.94 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.943 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.93 133.05 29.97 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.147 1.898 . . . . 0.0 112.332 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -96.05 109.04 21.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.87 88.11 1.93 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -174.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 26.9 m -108.77 161.43 15.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.45 27.49 54.75 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.188 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.3 mt -101.63 91.41 4.42 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.18 -20.03 35.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.102 0.477 . . . . 0.0 109.927 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -78.66 73.87 5.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -80.98 141.26 34.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.008 -174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -93.57 60.63 3.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.18 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -95.78 -5.35 42.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.133 0.492 . . . . 0.0 109.804 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 64.04 41.51 6.38 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.692 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 . . . . . 0 C--O 1.244 0.799 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.701 179.037 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.548 0.213 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.24 78.16 8.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.038 0.447 . . . . 0.0 110.215 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.1 m120 -136.52 32.69 2.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.078 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.17 -38.51 83.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.592 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.32 -46.37 90.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.186 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.571 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.4 ttp180 -67.85 -36.3 80.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.773 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 95.3 mttt -59.73 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.29 -37.66 72.76 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.42 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.43 0.633 . . . . 0.0 109.708 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 59.6 mt -68.73 -31.95 71.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.888 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 76.5 m -65.11 -42.61 93.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.38 -36.52 84.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.0 0.428 . . . . 0.0 110.395 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' HG22 ' A' ' 76' ' ' VAL . 14.1 tpt -65.79 -41.86 91.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.051 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -60.0 -42.87 95.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.199 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 33.2 mm-40 -61.29 -34.28 74.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 178.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.613 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.2 m -74.97 -29.55 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.194 0.521 . . . . 0.0 110.669 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 26.2 t80 -70.32 -33.7 71.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.597 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.1 t -45.95 -52.63 25.19 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' A' ' 39' ' ' THR . 42.7 Cg_exo -56.79 -42.9 59.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.773 1.649 . . . . 0.0 112.342 176.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 47' ' ' VAL . 58.3 m-85 -58.63 -36.62 74.36 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -55.75 -51.29 67.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.468 ' O ' HD23 ' A' ' 49' ' ' LEU . 33.2 m -52.29 -43.57 64.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.33 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.96 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.077 0.465 . . . . 0.0 110.58 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 43' ' ' TYR . 70.6 t -64.58 -39.48 85.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.462 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.38 -38.13 84.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.006 0.432 . . . . 0.0 110.205 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -67.11 -45.68 76.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.502 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 27.6 p -72.06 -23.54 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.45 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 57' ' ' LEU . . . -71.07 -45.74 63.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.45 -27.61 62.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.54 -46.68 88.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -108.83 -12.65 14.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.437 0.637 . . . . 0.0 110.647 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.22 -20.07 3.36 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.193 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.09 145.24 18.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.262 -0.97 . . . . 0.0 112.818 163.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 51' ' ' ALA . 36.0 mt -73.84 -3.07 26.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.796 0.438 . . . . 0.0 111.567 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 7.8 m-20 -48.53 -35.0 12.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.234 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.58 1.23 55.64 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.3 t -97.06 70.11 2.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.458 0.647 . . . . 0.0 109.481 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.511 ' OD1' ' HA ' ' A' ' 82' ' ' ALA . 17.7 t70 -114.01 147.29 38.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.077 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA3' ' HD3' ' A' ' 70' ' ' PRO . . . -63.82 103.55 0.72 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.077 -0.511 . . . . 0.0 113.082 -175.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.08 17.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.07 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 p -143.14 161.13 39.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.025 0.413 . . . . 0.0 110.402 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 53.55 33.0 15.3 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.75 5.24 86.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.873 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.14 126.18 70.56 Favored Pre-proline 0 N--CA 1.449 -0.475 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.38 163.34 12.72 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.643 2.229 . . . . 0.0 112.937 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -87.26 128.99 53.24 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.053 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 62' ' ' GLY . 12.1 Cg_endo -54.05 125.7 19.63 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.123 2.548 . . . . 0.0 112.113 -175.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -143.19 -177.67 5.47 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.037 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 HG12 ' A' ' 76' ' ' VAL . 36.5 p -131.22 125.93 34.22 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.207 0.527 . . . . 0.0 111.282 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -81.17 178.37 8.44 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 171.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -52.97 -43.51 66.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -171.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -102.06 27.83 6.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.567 HG12 HG22 ' A' ' 72' ' ' THR . 91.1 t -115.69 129.91 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 m -88.08 -44.8 10.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.17 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.05 149.81 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.4 ptp -163.3 143.24 8.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.706 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 m -135.77 134.66 39.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.809 174.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -103.25 116.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . . . -132.85 110.59 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 30.0 mmtp 52.91 44.44 30.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.83 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.44 -24.7 3.53 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.089 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 56.0 t -66.45 142.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.67 109.5 17.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -104.86 127.76 52.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.026 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.84 148.97 37.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.116 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.4 m -123.65 128.78 50.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.979 0.419 . . . . 0.0 111.434 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 51.24 48.06 48.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.011 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.427 HE21 ' HG2' ' A' ' 92' ' ' GLU . 29.6 tp60 -72.58 126.16 29.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.695 0.283 . . . . 0.0 110.621 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.427 ' HG2' HE21 ' A' ' 91' ' ' GLN . 19.6 mm-40 55.76 -138.39 1.04 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -64.48 -13.92 54.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.413 . . . . 0.0 111.405 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.52 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.0 mt -83.29 38.88 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 110.502 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -54.75 137.45 44.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.194 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.91 -25.49 9.79 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.817 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 118' ' ' CYS . 51.1 tp -75.04 125.7 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.897 0.38 . . . . 0.0 111.127 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t -101.33 111.96 24.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.629 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.521 HG22 ' SG ' ' A' ' 118' ' ' CYS . 31.9 t -99.11 122.46 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.5 t -114.74 102.55 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.956 0.407 . . . . 0.0 110.209 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 40' ' ' PHE . 57.2 tpp -86.03 110.53 19.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 m -112.9 98.78 46.43 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.374 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.46 129.16 15.4 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.292 1.995 . . . . 0.0 110.784 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.41 156.26 6.65 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.132 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -154.44 -62.59 0.13 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.493 0.663 . . . . 0.0 109.417 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.88 123.07 15.7 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -56.21 -36.86 68.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.003 -171.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.07 -50.21 7.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -80.88 -26.32 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -172.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -111.91 124.19 6.69 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.602 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -140.33 25.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.344 1.068 . . . . 0.0 108.864 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.8 t -90.8 -10.47 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.771 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.7 -94.69 2.0 Allowed Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.574 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -102.84 129.17 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 111.614 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.75 133.39 44.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.397 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 3.2 mpt_? -109.88 139.16 45.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 -176.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -144.38 112.96 6.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.479 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.554 ' HB3' HD11 ' A' ' 97' ' ' LEU . 3.7 m -103.94 116.58 32.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.3 102.89 12.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.418 ' HB ' HD13 ' A' ' 97' ' ' LEU . 6.5 tp -138.08 100.67 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.326 0.584 . . . . 0.0 109.643 173.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER -73.44 -38.6 65.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -169.396 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.7 p -87.89 -23.08 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.76 84.25 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.7 0.286 . . . . 0.0 111.701 -170.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 64.9 m -60.66 -22.59 64.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.92 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.68 75.8 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 94' ' ' LEU . 49.9 mt -68.6 -38.17 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -65.01 -38.68 91.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 124' ' ' SER . 87.2 mm-40 -55.22 -44.08 75.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.28 73.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 1.7 t -62.86 -44.86 95.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 25.9 tt0 -55.75 -27.79 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.524 -178.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.98 -55.57 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.583 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.43 -49.49 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.645 0.736 . . . . 0.0 111.698 -175.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.465 ' HB2' ' SG ' ' A' ' 130' ' ' CYS . 87.4 m-85 -87.13 24.7 1.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.251 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 23.5 ptt180 -48.89 139.64 9.82 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.985 -173.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.406 ' CD2' HD11 ' A' ' 141' ' ' LEU . 0.2 OUTLIER -99.98 119.6 38.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.435 -176.031 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.51 128.89 38.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.516 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -60.07 -18.78 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.364 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.22 -21.19 66.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.063 0.459 . . . . 0.0 111.113 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -89.1 -19.03 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.362 0.601 . . . . 0.0 110.097 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.406 HD11 ' CD2' ' A' ' 136' ' ' PHE . 59.0 mt -112.26 93.4 4.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.873 -174.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.46 124.02 81.1 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.42 133.7 21.28 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.386 2.057 . . . . 0.0 111.889 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -116.31 100.26 7.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 99.68 179.38 30.75 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.75 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.3 p -102.1 121.33 41.99 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.725 0.297 . . . . 0.0 111.186 -176.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 89.51 -5.95 83.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.85 -0.69 . . . . 0.0 113.311 174.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.95 90.12 8.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.233 0.54 . . . . 0.0 110.695 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.13 -33.35 20.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.662 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -64.29 102.28 0.51 Allowed 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.118 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -84.2 125.21 31.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.403 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -85.8 123.71 31.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.756 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -55.94 115.5 2.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -87.74 144.26 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.343 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.4 m80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.463 -0.78 . . . . 0.0 109.82 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.2 ptm . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.96 0.409 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -118.24 110.31 17.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.27 -0.269 . . . . 0.0 110.376 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 90.4 m-20 59.49 35.41 22.81 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -58.44 -49.13 78.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.918 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.33 -37.6 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.8 ttm180 -67.56 -34.0 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.677 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 31.2 mmtp -55.28 -50.31 69.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.204 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.81 95.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.349 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -59.73 -45.23 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.219 0.533 . . . . 0.0 110.552 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 78.1 mt -65.74 -34.0 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.9 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -67.71 -36.99 81.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.264 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -67.4 -39.77 85.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.115 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.89 -40.75 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . 28.7 tp -63.47 -45.3 91.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.398 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.33 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.614 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 40.5 m -75.35 -31.08 60.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 110.485 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 45.9 t80 -71.12 -34.33 70.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.865 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.4 t -46.24 -52.84 25.99 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.614 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.9 Cg_exo -58.61 -30.24 91.5 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.889 1.726 . . . . 0.0 112.936 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -75.15 -26.06 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.687 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.6 mtm180 -59.65 -35.87 75.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.347 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' HD23 ' A' ' 49' ' ' LEU . 14.5 m -51.01 -36.99 42.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.794 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.52 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.675 0.75 . . . . 0.0 110.312 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.08 -42.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.333 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 45.0 mm-40 -65.03 -41.65 95.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.788 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -61.14 -40.02 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.637 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.23 -49.03 77.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.525 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -62.16 -20.48 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.001 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 85.4 mt -82.85 -50.28 8.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.238 . . . . 0.0 111.486 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.27 -36.61 63.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.27 -171.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -103.0 -12.98 17.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.405 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.0 -21.07 0.2 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.99 -1.005 . . . . 0.0 114.376 177.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.02 144.54 16.17 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 119.442 -1.361 . . . . 0.0 113.162 164.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.711 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 4.1 mt -75.06 -5.25 43.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 9.0 m-20 -57.45 -32.19 66.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.147 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.7 p -83.91 -7.97 59.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.209 0.528 . . . . 0.0 111.419 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.711 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 56.1 m -86.61 67.28 9.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.334 0.588 . . . . 0.0 110.967 -172.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -109.43 140.45 43.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.5 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.15 118.22 12.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.969 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.64 4.2 43.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.716 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.4 p -145.36 168.11 21.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.98 0.39 . . . . 0.0 110.947 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 54.66 37.02 27.45 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.881 0.472 . . . . 0.0 112.157 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.19 -8.12 72.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.936 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mt -85.6 131.09 48.67 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.84 168.07 4.73 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.848 2.365 . . . . 0.0 112.477 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -73.61 139.57 77.84 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.025 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.58 123.32 12.5 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.096 1.864 . . . . 0.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p -145.35 -177.47 5.57 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.069 -175.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 23.4 p -131.38 127.16 36.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.0 p -71.7 177.34 4.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.334 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -54.51 -43.28 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.45 -17.1 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 55.2 t -81.67 131.2 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.091 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -40.32 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.015 -172.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.35 143.94 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.203 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' O ' ' A' ' 87' ' ' SER . 10.4 ptp -164.55 140.37 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.131 0.491 . . . . 0.0 110.422 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 20.3 m -131.37 141.76 49.94 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.395 177.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.13 119.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.73 109.37 7.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.0 mmtp 53.93 39.72 30.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.906 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.15 -24.44 5.41 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.067 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 101' ' ' MET . 40.3 t -70.79 132.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.566 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.3 m -129.04 122.78 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.46 0.647 . . . . 0.0 110.6 -175.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.2 m -103.78 125.06 49.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.057 176.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.68 116.91 28.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.299 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.2 m -106.75 144.06 33.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.881 0.372 . . . . 0.0 111.352 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 50.13 46.05 42.8 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.008 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 27.7 tp60 -83.81 126.0 32.51 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HB3' ' H ' ' A' ' 93' ' ' SER . 19.2 mm-40 57.48 -143.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.89 -0.141 . . . . 0.0 110.734 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.439 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 17.8 t -63.15 -13.04 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.398 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 60.0 mt -79.98 38.42 0.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.022 0.439 . . . . 0.0 110.925 -174.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.437 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 58.0 t30 -52.59 132.65 35.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.576 175.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.27 -22.25 20.53 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.354 -0.45 . . . . 0.0 112.504 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.0 tt -86.28 133.5 33.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.851 0.357 . . . . 0.0 110.236 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m -112.32 118.81 36.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.09 126.62 42.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.57 114.03 42.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.53 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 52.7 ttp -99.77 114.89 28.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.638 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 m -108.74 93.1 11.48 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.542 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 29.9 Cg_endo -66.69 129.99 22.36 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.873 1.715 . . . . 0.0 111.239 172.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.441 ' O ' ' HB3' ' A' ' 105' ' ' TRP . . . 94.81 176.17 38.24 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -177.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.441 ' HB3' ' O ' ' A' ' 104' ' ' GLY . 39.3 t90 71.82 -40.68 0.48 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 122.953 0.501 . . . . 0.0 110.512 -175.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 104' ' ' GLY . 7.0 p-10 -73.49 -12.18 60.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.486 0.66 . . . . 0.0 109.559 174.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -57.91 -41.14 82.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.672 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -7.16 48.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -108.9 15.73 23.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.104 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.47 3.15 52.86 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 114.51 0.564 . . . . 0.0 114.51 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.9 m -111.54 21.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 117.322 0.561 . . . . 0.0 110.437 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.2 m -27.94 108.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 124.915 1.384 . . . . 0.0 114.244 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.43 -101.81 0.17 Allowed Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.128 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -129.35 124.28 33.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.443 ' HB1' ' OD1' ' A' ' 140' ' ' ASN . . . -89.97 135.71 33.48 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 134' ' ' PHE . 29.6 mmt180 -114.0 141.19 47.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.006 0.432 . . . . 0.0 111.931 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -145.69 137.84 25.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.462 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.7 m -114.92 115.04 26.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -109.52 103.37 12.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.533 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 127' ' ' GLN . 5.6 tp -138.08 96.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.221 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -75.17 -26.77 59.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -166.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.5 p -100.33 -10.45 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.418 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.8 m-20 -138.19 85.44 2.1 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.135 -0.353 . . . . 0.0 111.628 -170.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.6 m -61.05 -26.74 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.22 93.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.003 0.43 . . . . 0.0 111.031 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.59 -37.13 79.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.139 0.495 . . . . 0.0 109.79 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 120' ' ' ILE . 34.8 tt0 -62.06 -42.77 99.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.129 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -54.34 -41.73 69.41 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.676 0.61 . . . . 0.0 111.209 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.41 43.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.56 -46.05 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.77 -22.39 64.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.79 -53.32 28.06 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.153 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.17 -48.17 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.342 0.592 . . . . 0.0 111.134 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 97.6 m-85 -89.25 26.35 1.66 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.781 -176.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -46.67 136.34 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.127 -172.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -81.41 130.53 35.08 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.801 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.08 157.83 32.47 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.89 -14.53 15.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.704 0.288 . . . . 0.0 111.182 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.11 82.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.814 174.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.443 ' OD1' ' HB1' ' A' ' 115' ' ' ALA . 5.1 m-20 -93.84 12.51 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.8 mt -119.29 161.07 21.04 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.732 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.0 p -101.53 128.75 28.3 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.63 132.44 50.33 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.97 1.78 . . . . 0.0 110.701 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -116.55 114.35 24.03 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -62.72 157.23 38.62 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.544 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.1 p -88.15 115.76 25.86 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.381 -0.527 . . . . 0.0 109.878 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.6 -35.91 1.39 Allowed Glycine 0 CA--C 1.521 0.419 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.373 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.5 mt -105.25 90.37 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.308 0.243 . . . . 0.0 110.772 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -109.21 -47.77 3.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.101 0.477 . . . . 0.0 110.168 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -114.83 100.26 8.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.583 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -87.26 131.58 34.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.091 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -120.94 -56.69 1.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.446 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -149.75 147.02 27.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.575 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 70.65 96.43 0.07 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.806 0.691 . . . . 0.0 110.737 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.592 176.833 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.99 0.424 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.34 65.03 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.723 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 91.1 m-20 -123.0 15.8 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.341 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -59.5 -49.73 76.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.897 -172.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.16 -38.65 78.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 93' ' ' SER . 20.1 ttp180 -65.85 -32.74 74.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.547 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 67.8 mttm -58.02 -49.49 76.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.406 176.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.9 85.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.92 98.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.301 0.572 . . . . 0.0 110.028 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.55 -40.46 80.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.289 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 59.4 m -63.83 -41.05 97.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.577 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.15 -36.08 77.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.531 ' SD ' HG22 ' A' ' 76' ' ' VAL . 11.2 tpt -64.14 -43.0 96.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.986 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.28 -38.36 83.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 0.0 110.103 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 34' ' ' THR . 32.7 mm-40 -68.15 -29.92 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.79 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.636 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.7 m -75.27 -29.81 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 110.266 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 24.1 t80 -66.79 -33.71 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.691 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.604 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 76.3 t -47.61 -54.37 23.33 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.636 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.5 Cg_exo -55.77 -30.25 75.37 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.128 1.886 . . . . 0.0 113.078 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -74.64 -33.16 62.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.313 0.578 . . . . 0.0 109.634 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.4 mtm180 -59.76 -39.38 84.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.518 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 24.8 m -53.73 -38.48 64.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.392 0.433 . . . . 0.0 111.457 176.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.12 78.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.433 0.635 . . . . 0.0 109.989 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.627 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 92.5 t -62.1 -39.24 83.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.788 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 5.8 mm-40 -58.12 -40.72 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 109.827 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 45' ' ' THR . 86.2 mt -65.0 -45.99 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.059 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 19.9 p -77.7 -24.78 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.221 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.93 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 110.773 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -79.74 -15.58 57.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.023 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.71 -44.74 96.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.488 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -109.38 -13.47 14.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.198 0.523 . . . . 0.0 110.434 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.33 -20.11 11.73 Favored Glycine 0 CA--C 1.516 0.155 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.22 161.27 12.78 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.103 -0.549 . . . . 0.0 111.747 160.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 103' ' ' PRO . 73.2 mt -73.44 -3.79 29.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.509 0.324 . . . . 0.0 111.867 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 24.1 t70 -50.05 -36.17 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.7 p -88.49 15.22 8.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 32.4 t -116.07 74.61 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.306 0.574 . . . . 0.0 111.386 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HB2' ' OG ' ' A' ' 64' ' ' SER . 13.7 m-20 -121.42 137.32 54.76 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.86 109.19 2.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.16 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.65 3.02 28.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.882 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 61' ' ' ASP . 88.7 p -127.35 158.71 36.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 53.84 30.08 10.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.76 9.61 70.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.851 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 76.9 mt -77.29 131.03 73.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.18 169.95 2.56 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.899 2.399 . . . . 0.0 112.616 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -91.72 138.66 24.94 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.417 ' HB3' HG23 ' A' ' 81' ' ' VAL . 10.8 Cg_endo -54.45 123.76 14.41 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.413 2.075 . . . . 0.0 111.558 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 t -112.59 170.22 8.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.588 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 67.2 p -131.88 125.51 31.92 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.699 0.285 . . . . 0.0 110.251 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 p -78.96 178.08 8.28 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -53.42 -44.09 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.3 -5.42 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG13 HE22 ' A' ' 91' ' ' GLN . 58.5 t -95.13 119.73 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 m -78.56 -47.76 16.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.697 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.88 152.71 6.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.522 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 ptm -172.47 141.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.667 0.605 . . . . 0.0 110.433 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 m -131.14 138.68 49.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.103 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 70' ' ' PRO . 47.2 t -97.19 114.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.704 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -131.47 110.21 10.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.087 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 73.6 mmtt 49.85 46.75 23.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.167 -175.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' HA3' HD22 ' A' ' 57' ' ' LEU . . . 76.25 -24.91 1.65 Allowed Glycine 0 N--CA 1.465 0.59 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.064 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.503 HG22 HG23 ' A' ' 102' ' ' THR . 54.3 t -66.44 141.03 18.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 80' ' ' SER . 30.3 m -129.88 118.94 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.496 0.665 . . . . 0.0 109.609 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.4 m -101.37 123.77 45.98 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.82 148.79 35.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.302 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.2 m -131.61 128.19 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.42 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 55.48 46.65 80.21 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.052 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.607 HE22 HG13 ' A' ' 76' ' ' VAL . 6.3 tp-100 -70.27 125.81 27.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.4 0.143 . . . . 0.0 110.627 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 50.07 -122.42 1.83 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.414 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.458 ' HB2' ' HD3' ' A' ' 29' ' ' ARG . 6.9 m -74.76 -12.79 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.735 0.414 . . . . 0.0 111.689 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 75.8 mt -83.05 39.87 0.67 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.038 -171.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -56.02 136.26 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.3 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.16 -12.91 52.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.551 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 119' ' ' ASN . 8.4 tt -99.6 131.09 45.83 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -110.95 128.4 55.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.963 0.411 . . . . 0.0 109.962 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.38 128.81 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.574 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.34 102.93 14.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.591 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 43.6 tpp -93.94 111.89 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.198 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.503 HG23 HG22 ' A' ' 85' ' ' VAL . 87.3 m -112.96 99.23 47.97 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.437 ' HB2' HD11 ' A' ' 57' ' ' LEU . 31.7 Cg_exo -58.05 134.48 62.43 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.46 2.106 . . . . 0.0 111.298 174.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.06 106.31 2.96 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -76.51 149.85 36.68 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -146.28 138.11 24.9 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -69.28 -43.56 73.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.65 -34.12 21.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.045 0.45 . . . . 0.0 111.823 -175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -103.82 -4.05 24.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.026 -172.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.66 -62.7 2.75 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.571 -0.824 . . . . 0.0 111.594 -173.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.0 p -141.99 130.58 22.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.2 t -92.82 -15.03 26.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.29 -156.52 24.02 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.2 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.488 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 26.8 m-90 -126.19 123.89 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.261 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 141' ' ' LEU . . . -89.65 121.83 32.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.825 178.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.591 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 1.2 mpt_? -109.13 150.29 28.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.04 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -145.43 118.32 8.75 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 79.1 m -102.65 116.37 32.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 32.6 m-80 -110.59 103.16 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.028 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 120' ' ' ILE . 6.0 tp -137.0 96.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.381 0.61 . . . . 0.0 109.747 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -73.17 -36.37 66.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.2 m -99.44 15.48 26.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD2' ' HG ' ' A' ' 126' ' ' LEU . 18.0 t70 -161.8 99.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.366 -0.533 . . . . 0.0 111.669 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 15.6 m -61.79 -26.96 68.42 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.056 178.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.77 80.85 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.534 ' HG ' ' OD2' ' A' ' 123' ' ' ASP . 85.0 mt -60.17 -36.48 77.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.273 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -67.59 -41.35 84.23 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 124' ' ' SER . 90.5 mm-40 -53.91 -43.41 69.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.672 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -47.57 34.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.258 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.91 -50.19 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.43 ' HG3' ' CE1' ' A' ' 136' ' ' PHE . 30.4 tt0 -62.55 -26.25 68.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.462 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.0 -50.85 37.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.589 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.01 -43.05 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.598 0.713 . . . . 0.0 110.829 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 96.7 m-85 -86.63 25.05 1.31 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.398 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -49.95 138.91 14.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.428 -173.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 141' ' ' LEU . 5.4 p90 -126.47 125.58 42.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.175 -172.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -82.14 142.57 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.162 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.32 -28.56 59.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.296 -173.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.53 -30.46 27.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.047 0.451 . . . . 0.0 111.494 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -95.82 -27.45 15.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.497 -172.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 141' ' ' LEU . 4.1 pp -64.85 147.56 53.04 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.933 0.397 . . . . 0.0 111.092 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.84 117.45 68.12 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.037 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.28 136.61 56.4 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.539 2.159 . . . . 0.0 112.08 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 144' ' ' ARG . 49.6 mtp180 -129.02 142.96 50.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -163.3 178.43 38.92 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.437 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 p -83.88 120.86 26.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.974 0.416 . . . . 0.0 110.665 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.38 -8.11 69.46 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.183 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 81.1 mt -85.55 89.41 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.13 0.49 . . . . 0.0 110.558 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -77.27 -46.36 23.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -111.09 170.86 7.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.129 -0.942 . . . . 0.0 108.842 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -99.26 157.28 16.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.654 0.264 . . . . 0.0 110.347 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -148.6 75.95 1.33 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.119 0.485 . . . . 0.0 110.132 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -89.32 -18.4 27.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.426 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -114.07 141.7 47.12 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 33.0 t60 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.075 -174.835 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.537 0.208 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.55 77.89 5.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.049 0.452 . . . . 0.0 110.853 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -89.91 67.37 7.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.931 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -61.2 -34.65 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.687 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.01 -44.97 78.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.335 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.5 ttp180 -65.04 -36.44 84.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.268 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 129' ' ' ALA . 33.2 mmtp -58.14 -50.45 73.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 176.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.63 78.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.0 90.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.301 0.572 . . . . 0.0 110.128 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 64.1 mt -66.68 -34.17 77.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.851 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 82.5 m -61.94 -45.03 95.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.456 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -40.52 97.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.4 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.498 ' SD ' ' HB2' ' A' ' 75' ' ' TYR . 31.5 mmt -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.12 -43.3 98.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.24 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.3 mm-40 -65.87 -31.83 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.618 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 32.2 m -75.61 -27.83 58.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.045 0.45 . . . . 0.0 110.607 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 27.7 t80 -70.48 -34.02 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 176.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.578 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.9 t -47.32 -51.72 40.77 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.7 Cg_exo -56.55 -31.33 86.16 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.076 1.851 . . . . 0.0 112.744 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -74.27 -31.6 62.6 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.333 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 44.3 mtm180 -60.88 -35.68 77.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.253 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.462 ' O ' HD23 ' A' ' 49' ' ' LEU . 6.0 m -51.54 -46.1 63.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.16 171.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.19 75.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.582 0.706 . . . . 0.0 110.132 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.62 -46.77 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.074 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.74 -37.32 86.07 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.49 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -58.04 -43.46 86.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 109.773 176.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.6 -59.83 3.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.809 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.65 -37.18 67.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.82 -49.64 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.93 -40.59 60.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 111.006 -175.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -89.25 -6.67 56.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.63 27.33 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.473 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.32 140.74 10.83 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 119.666 -1.254 . . . . 0.0 111.549 -173.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.18 -32.68 50.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 117.808 0.804 . . . . 0.0 108.837 163.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' HA ' ' CD ' ' A' ' 83' ' ' LYS . 4.9 m-20 -59.47 -29.26 67.69 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.647 -1.161 . . . . 0.0 112.017 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.0 p -81.75 -11.12 59.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.107 0.479 . . . . 0.0 111.324 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.75 62.71 5.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.325 0.584 . . . . 0.0 110.908 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -99.02 139.75 34.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.34 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.09 94.43 0.9 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.637 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.99 -0.1 7.7 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.239 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 m -136.04 168.56 19.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 55.05 34.4 22.42 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.25 52.98 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.929 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 57.6 mt -78.42 122.25 84.8 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.7 Cg_exo -68.93 143.56 55.35 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.031 1.821 . . . . 0.0 112.04 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -46.12 128.41 7.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.819 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.97 125.82 20.22 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.231 2.621 . . . . 0.0 112.553 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -95.97 168.18 10.79 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.787 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 29.8 p -126.6 126.29 43.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.023 0.44 . . . . 0.0 110.602 -178.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.3 p -73.42 177.85 4.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.268 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -55.48 -37.18 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.498 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 23.9 m-85 -92.05 -25.59 18.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' A' ' 72' ' ' THR . 91.7 t -83.26 118.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.066 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.3 m -82.61 -37.68 24.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.53 147.82 14.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.835 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.7 ptp -160.61 140.15 10.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.735 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.4 t -136.39 143.88 44.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.017 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG22 HG12 ' A' ' 86' ' ' VAL . 21.7 t -110.61 120.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.858 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.24 111.68 9.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.073 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 58' ' ' ASP . 70.9 mmtt 56.59 39.93 29.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.63 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.18 -23.69 3.18 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.308 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.442 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 39.2 t -69.12 136.75 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG12 HG22 ' A' ' 81' ' ' VAL . 29.1 m -126.62 119.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 O-C-N 121.622 -0.674 . . . . 0.0 110.507 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 48.8 p -104.5 123.09 46.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.991 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.59 136.22 51.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -116.84 134.05 55.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.283 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.36 47.35 43.61 Favored Glycine 0 C--N 1.333 0.414 0 O-C-N 124.148 0.905 . . . . 0.0 113.756 176.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.6 124.95 26.92 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.76 -140.99 0.86 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.502 0.321 . . . . 0.0 110.245 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.8 m -63.88 -11.87 31.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.463 HD23 HD22 ' A' ' 126' ' ' LEU . 50.8 mt -78.07 39.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.955 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -53.47 133.13 40.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.851 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.83 -21.9 20.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.683 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.9 tt -82.03 136.35 35.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.0 m -112.51 125.23 54.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.206 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 87' ' ' SER . 35.0 t -101.37 127.58 54.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -124.0 105.7 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.025 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.513 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 48.5 ttm -100.66 118.27 36.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.76 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -111.84 103.5 55.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.906 -174.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.507 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 59.5 Cg_endo -72.94 131.19 16.56 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.424 2.082 . . . . 0.0 111.323 171.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' HA2' ' C ' ' A' ' 110' ' ' GLY . . . 109.15 -15.41 33.26 Favored Glycine 0 C--N 1.318 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.909 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -80.24 -13.04 59.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.141 0.496 . . . . 0.0 110.046 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -63.04 123.23 18.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.491 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.69 -26.07 64.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.051 -176.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.45 -56.02 4.63 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -172.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -107.62 -29.37 9.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.839 0.352 . . . . 0.0 111.445 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.462 ' C ' ' HA2' ' A' ' 104' ' ' GLY . . . 92.73 -113.78 4.5 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.604 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 m -53.07 -37.74 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.1 p -88.46 62.05 6.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.431 0.634 . . . . 0.0 110.725 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . -172.02 127.17 1.37 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.018 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 26.5 m-90 -100.02 128.3 46.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.698 0.285 . . . . 0.0 111.219 -177.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -97.16 147.61 23.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -122.05 136.19 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.932 0.396 . . . . 0.0 112.03 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -145.24 132.87 20.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.97 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 71.0 m -116.8 118.0 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.137 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -112.28 105.57 13.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.366 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.485 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 7.1 tp -136.91 104.71 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.576 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -75.76 -39.69 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -170.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.3 m -105.72 10.11 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.485 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 10.6 m-20 -143.28 87.84 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.176 -0.327 . . . . 0.0 111.114 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 13.9 p -61.17 -35.55 77.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.52 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.926 0.394 . . . . 0.0 111.339 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 94' ' ' LEU . 79.6 mt -68.91 -34.06 74.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.953 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 53.2 tt0 -62.43 -46.28 89.25 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 124' ' ' SER . 16.0 mm100 -52.64 -42.75 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.684 0.615 . . . . 0.0 111.127 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.405 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -72.33 -45.15 61.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.167 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 29.2 t -68.43 -48.47 64.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.798 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 5.4 pt-20 -61.97 -22.19 65.44 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.273 -177.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.48 -53.03 32.25 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.964 -0.46 . . . . 0.0 110.333 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.2 t -84.44 -44.61 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.462 0.649 . . . . 0.0 111.743 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.493 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.4 m-85 -95.77 26.5 4.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.859 -175.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -46.43 136.42 7.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.86 -169.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -67.7 121.53 16.12 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 114.583 -1.189 . . . . 0.0 108.993 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -79.78 160.49 26.16 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -47.59 -36.59 10.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.729 0.3 . . . . 0.0 111.76 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.32 -24.57 67.31 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.012 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.407 HD21 ' HB1' ' A' ' 115' ' ' ALA . 19.3 m120 -91.33 -4.81 55.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.784 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.1 mt -94.92 138.98 31.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.953 0.406 . . . . 0.0 110.485 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.82 130.88 43.26 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.44 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.06 132.84 54.41 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.169 1.913 . . . . 0.0 112.019 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -126.51 111.01 13.9 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.8 111.85 3.18 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.039 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 16.1 p -89.43 125.88 35.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.817 0.341 . . . . 0.0 111.179 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 81.38 -33.34 2.51 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.095 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 73.1 mt -93.94 90.64 6.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.781 0.324 . . . . 0.0 110.392 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.98 -46.54 71.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -91.46 111.47 22.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -78.39 116.09 18.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.27 -172.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 68.82 115.03 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 O-C-N 124.215 0.947 . . . . 0.0 110.702 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -92.82 122.39 35.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -89.41 2.16 54.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.235 0.541 . . . . 0.0 110.192 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 34.1 m170 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.221 173.758 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.242 0.544 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.2 pm0 -74.46 112.9 11.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.266 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 86.5 m-20 -127.67 34.29 4.68 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.654 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.12 -33.43 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.037 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 28' ' ' LEU . 4.4 mm? -73.67 -33.03 64.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.8 ttm180 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.716 171.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 43.0 mmtm -60.72 -50.4 73.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.0 80.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.103 0.478 . . . . 0.0 110.109 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.7 mt -62.94 -38.55 91.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.044 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 m -64.79 -37.93 89.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.197 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.37 -38.93 91.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.239 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.68 -41.02 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.001 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.5 tp -62.24 -40.59 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.294 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 34' ' ' THR . 85.5 mm-40 -63.67 -24.68 67.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.006 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.57 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 20.8 m -75.32 -35.41 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.277 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -70.71 -34.18 71.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.78 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.5 t -47.16 -52.94 31.31 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.57 ' HD2' ' O ' ' A' ' 39' ' ' THR . 36.4 Cg_exo -61.88 -31.13 84.79 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.748 1.632 . . . . 0.0 112.519 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 m-85 -71.37 -25.78 62.52 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.194 -0.202 . . . . 0.0 111.22 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 49.0 mtm180 -55.69 -47.19 77.21 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' HD23 ' A' ' 49' ' ' LEU . 45.5 m -52.64 -47.39 67.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.406 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.99 88.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 110.051 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 43' ' ' TYR . 71.5 t -63.65 -45.6 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.838 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 41.6 mt-10 -64.99 -43.29 93.06 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.788 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 45' ' ' THR . 4.5 mm? -66.67 -41.66 87.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.78 -31.87 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.986 0.422 . . . . 0.0 110.196 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.53 68.22 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.464 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.2 tp -81.32 -19.49 42.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.05 -45.76 66.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -175.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -107.96 -11.94 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.37 -20.28 7.41 Favored Glycine 0 N--CA 1.458 0.126 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.382 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.41 149.26 18.38 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 163.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 mt -72.99 -2.4 20.91 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.921 0.489 . . . . 0.0 111.662 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 3.0 m-20 -48.88 -32.06 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 p -92.62 0.1 57.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.086 0.469 . . . . 0.0 111.906 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.39 73.29 2.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.304 0.573 . . . . 0.0 110.662 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.86 156.86 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.19 106.89 1.86 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.685 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.14 8.88 19.22 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.188 -0.53 . . . . 0.0 111.896 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -140.16 154.81 47.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.57 34.81 20.19 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.142 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.63 2.07 84.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.345 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.4 mt -90.47 125.49 59.55 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -57.85 159.17 18.39 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.79 2.327 . . . . 0.0 112.742 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 p -79.06 141.7 58.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.13 123.18 13.21 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.324 2.016 . . . . 0.0 112.017 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -138.14 172.25 13.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.663 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -124.65 126.14 45.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.97 0.414 . . . . 0.0 110.823 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 p -79.41 176.5 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 74' ' ' ARG . 39.3 ttp-105 -54.91 -38.77 68.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.54 ' HB3' ' HG2' ' A' ' 92' ' ' GLU . 20.0 m-85 -91.78 -7.45 49.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.0 t -94.31 128.12 45.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 O-C-N 121.974 -0.454 . . . . 0.0 110.443 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -87.78 -39.7 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.078 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.1 146.02 15.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.591 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.496 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.7 ptm -168.07 139.97 2.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.568 0.543 . . . . 0.0 110.0 175.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 35.5 p -136.29 150.19 48.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.705 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.49 116.22 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.24 111.23 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 65.3 mmtt 54.38 42.84 31.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.945 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.46 -24.28 3.16 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 113.349 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.43 HG22 HG23 ' A' ' 102' ' ' THR . 26.8 t -71.44 142.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 26.8 m -132.62 117.64 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 0.0 110.518 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 79' ' ' MET . 49.6 m -104.47 125.4 50.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.899 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.79 144.88 42.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.473 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.8 m -132.42 143.27 49.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.494 0.188 . . . . 0.0 110.592 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.73 46.36 47.87 Favored Glycine 0 C--N 1.332 0.349 0 O-C-N 123.945 0.778 . . . . 0.0 113.155 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 125.07 35.01 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HG2' ' HB3' ' A' ' 75' ' ' TYR . 17.0 mt-10 51.92 -128.98 2.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.238 0.542 . . . . 0.0 112.02 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -71.96 -14.0 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.581 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.3 mt -81.68 39.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.488 0.661 . . . . 0.0 110.098 -175.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.21 129.71 39.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.326 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.56 -17.0 46.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.929 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.0 tt -89.91 139.03 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.018 0.437 . . . . 0.0 110.792 -175.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 t -113.83 119.69 38.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.78 128.63 68.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.976 0.417 . . . . 0.0 109.897 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.84 113.44 43.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.484 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 49.0 tpp -94.65 110.65 22.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 6.2 m -113.5 93.44 27.4 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.986 -176.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 101' ' ' MET . 24.2 Cg_exo -63.4 131.35 31.59 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.532 2.155 . . . . 0.0 111.714 174.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.27 -171.63 54.66 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.681 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -172.16 -23.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.334 0.588 . . . . 0.0 109.605 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -139.78 133.93 31.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.408 -0.814 . . . . 0.0 108.94 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -66.19 -26.46 67.41 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.446 0.466 . . . . 0.0 112.086 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.18 -29.38 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.832 0.349 . . . . 0.0 110.505 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -84.03 -4.26 58.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.516 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.31 -122.44 23.29 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.48 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 111' ' ' VAL . 15.0 p -136.61 45.33 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 122.223 1.011 . . . . 0.0 110.71 -173.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 29.7 p -84.82 34.62 0.54 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.502 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.22 158.91 20.34 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.025 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.7 m-90 -127.85 123.16 34.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -92.91 113.72 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.512 . . . . 0.0 109.67 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.405 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 73.1 mtt180 -109.5 135.04 51.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.816 -174.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.23 133.29 42.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.4 m -112.3 116.93 31.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -114.35 102.77 10.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.173 0.511 . . . . 0.0 110.454 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.45 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.2 tp -137.53 102.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.491 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.442 ' CD ' ' H ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -169.422 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.4 p -93.39 -15.43 25.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.45 ' H ' HG13 ' A' ' 120' ' ' ILE . 12.7 m-20 -139.07 81.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -169.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.4 m -60.7 -22.99 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.77 -35.63 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 111.101 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.965 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.636 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 33.9 tt0 -66.93 -41.25 87.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 175.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -57.6 -36.44 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.513 174.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.3 28.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.387 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 31.5 p -69.11 -44.46 72.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.916 -175.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.46 -22.9 66.58 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.96 -51.04 69.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.918 0.39 . . . . 0.0 110.141 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.71 -47.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.58 0.705 . . . . 0.0 111.266 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -84.79 25.48 0.92 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.991 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -49.67 142.34 8.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.821 -174.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -134.66 131.6 37.93 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.421 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -72.01 135.54 46.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -90.69 18.14 6.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -84.96 -48.43 9.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.23 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -78.19 -6.05 53.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.721 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.81 129.69 53.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.813 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.9 p -52.47 123.84 30.8 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 120.979 0.419 . . . . 0.0 110.851 174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.467 ' O ' ' HD2' ' A' ' 144' ' ' ARG . 59.4 Cg_endo -72.31 131.99 18.61 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.503 2.135 . . . . 0.0 112.94 -173.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.467 ' HD2' ' O ' ' A' ' 143' ' ' PRO . 30.7 mmm180 -140.79 99.38 3.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.677 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -52.53 116.05 4.91 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.21 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.7 p -93.0 148.96 21.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.786 0.327 . . . . 0.0 110.319 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.71 26.14 6.57 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.941 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.05 89.82 3.95 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -103.35 -9.25 19.61 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.631 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -69.94 102.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -77.9 105.02 8.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.31 -172.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -131.76 19.82 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 171.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -157.98 128.7 6.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.982 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -131.51 123.08 27.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.952 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.858 176.475 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 55.68 57.89 4.93 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.689 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.09 -2.51 2.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.715 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -62.52 -31.56 72.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 110.682 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -79.56 -39.29 32.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 30.0 ttm180 -59.31 -43.58 92.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.74 172.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -62.11 -47.01 86.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.154 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.11 -38.22 79.04 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.912 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.57 98.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.295 0.569 . . . . 0.0 110.096 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.7 mt -68.67 -38.33 80.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.292 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -66.21 -38.92 89.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.68 -39.08 84.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.691 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 tpt -63.69 -42.04 98.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.073 175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.9 tp -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.269 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.35 -23.73 65.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.419 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 28.1 m -76.46 -35.31 58.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.375 0.607 . . . . 0.0 110.244 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -70.69 -35.84 72.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.7 t -51.82 -50.47 77.68 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.538 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 53.1 Cg_exo -52.3 -42.28 61.29 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.896 1.73 . . . . 0.0 112.615 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.501 ' O ' HG23 ' A' ' 47' ' ' VAL . 86.2 m-85 -68.83 -33.34 73.67 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.757 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 2.8 mmp_? -54.77 -53.64 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.276 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' HD23 ' A' ' 49' ' ' LEU . 21.2 m -52.13 -42.92 63.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.925 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.451 0.643 . . . . 0.0 110.693 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 43' ' ' TYR . 98.0 t -69.9 -40.57 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.317 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 4.0 mm-40 -68.34 -39.84 81.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.059 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -61.84 -38.7 89.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.237 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 59' ' ' THR . 2.7 t -62.36 -52.19 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.198 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.231 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 83.2 mt -73.34 -21.99 60.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.26 -36.53 66.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 111.042 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -108.96 -12.63 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 110.479 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.53 -20.06 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.066 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.02 154.43 16.61 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.581 162.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.25 -2.64 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 123.245 0.618 . . . . 0.0 111.848 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.95 -39.64 27.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.771 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.567 HG23 ' SG ' ' A' ' 50' ' ' CYS . 14.9 t -76.79 -5.43 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 111.526 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -97.51 60.16 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.0 110.519 -176.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.486 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 9.8 t70 -109.57 133.97 52.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.282 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.33 108.37 2.46 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.951 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.64 2.64 24.1 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.314 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.0 m -143.44 162.77 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.7 0.25 . . . . 0.0 110.921 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 62.45 34.2 15.61 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.02 -3.43 84.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.638 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 55.5 mt -92.44 123.51 61.96 Favored Pre-proline 0 N--CA 1.447 -0.617 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 19.9 Cg_exo -65.29 146.99 87.35 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.725 2.284 . . . . 0.0 112.301 -177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -48.67 136.54 13.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.315 172.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.33 125.47 15.26 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.533 2.822 . . . . 0.0 112.993 -172.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -118.33 -177.67 3.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.676 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.43 HG22 HG12 ' A' ' 76' ' ' VAL . 18.4 p -135.97 143.27 44.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.855 0.36 . . . . 0.0 110.551 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.465 ' OG1' HG23 ' A' ' 76' ' ' VAL . 30.3 p -85.2 176.95 8.05 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -55.03 -40.27 70.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -92.3 -12.97 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG23 ' OG1' ' A' ' 73' ' ' THR . 79.0 t -82.48 127.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.378 0.609 . . . . 0.0 110.636 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -81.34 -46.57 14.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.755 -175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -171.88 142.63 1.52 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.385 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.493 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.9 ptm -160.92 140.37 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.148 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.552 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.5 m -124.59 151.31 44.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 t -125.89 119.31 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -139.08 109.58 6.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.177 0.513 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 52.05 43.8 30.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.368 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.37 -24.05 6.71 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.54 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.45 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 38.2 t -73.18 134.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.552 ' HA ' ' O ' ' A' ' 80' ' ' SER . 27.7 m -132.83 121.02 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.516 0.674 . . . . 0.0 111.177 -174.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' A' ' 79' ' ' MET . 24.9 m -104.17 125.37 50.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.786 176.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.04 137.95 50.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 11.4 m -119.81 132.49 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.27 46.25 28.06 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 114.952 -1.022 . . . . 0.0 114.052 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.51 HE21 ' HG2' ' A' ' 92' ' ' GLU . 28.8 tp60 -82.95 124.69 30.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.001 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' HG2' HE21 ' A' ' 91' ' ' GLN . 5.8 mm-40 55.04 -123.31 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.883 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -72.42 -14.51 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.84 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 97' ' ' LEU . 54.4 mt -87.2 37.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.342 0.591 . . . . 0.0 110.122 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -61.55 134.23 56.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.995 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.6 -17.85 32.83 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.467 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.431 HD13 HD22 ' A' ' 94' ' ' LEU . 8.9 tt -94.27 136.62 34.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.793 0.33 . . . . 0.0 110.215 -176.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -113.02 124.3 52.29 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -100.98 127.43 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.8 t -118.43 102.89 13.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.419 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.6 tpp -92.34 112.45 24.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.628 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 5.4 m -111.23 90.9 12.43 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.538 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 62.1 Cg_endo -77.56 132.96 12.56 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.462 2.108 . . . . 0.0 112.219 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.593 ' HA2' ' N ' ' A' ' 112' ' ' THR . . . 85.03 155.68 24.56 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.633 -0.712 . . . . 0.0 113.148 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -141.96 -39.9 0.37 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -108.12 132.34 53.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.795 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.53 -25.67 65.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.556 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.36 -40.58 67.21 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -173.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.405 HD21 ' HA ' ' A' ' 112' ' ' THR . 1.4 p-10 -97.74 -2.0 42.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 110.647 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.96 -96.14 0.95 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.8 -0.636 . . . . 0.0 113.023 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.2 t -89.99 79.54 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.174 0.511 . . . . 0.0 110.952 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.593 ' N ' ' HA2' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -74.42 53.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.357 174.319 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.82 -170.51 38.2 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.485 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.42 ' HE1' ' NH1' ' A' ' 44' ' ' ARG . 28.9 m-90 -134.72 128.92 33.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -97.32 121.36 39.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.3 mpt_? -108.76 131.42 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.83 0.348 . . . . 0.0 110.756 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -136.1 127.98 29.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.5 m -111.91 116.26 30.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.839 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -108.67 102.89 11.91 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.34 176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 120' ' ' ILE . 5.7 tp -136.15 100.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.278 173.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.88 -38.62 64.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.11 -169.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 m -90.76 -12.92 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.1 86.81 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 127' ' ' GLN . 9.5 t -60.83 -22.08 63.84 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.198 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.55 83.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.349 . . . . 0.0 111.446 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.51 -31.0 67.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.064 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 49.5 tt0 -61.83 -45.13 95.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.953 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.74 -31.52 72.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.41 -48.59 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.394 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 26.2 p -69.05 -44.3 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.975 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 8.7 pt-20 -62.51 -23.65 67.07 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.483 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -70.66 -47.86 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.222 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 135' ' ' ARG . 93.1 t -82.89 -48.54 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.27 0.557 . . . . 0.0 111.193 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.431 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 94.9 m-85 -80.29 23.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.118 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 28.8 ptt180 -51.13 144.33 9.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.634 -166.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.517 ' CD2' HD11 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -101.64 117.59 35.21 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.36 -175.724 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.43 ' HB2' ' ND2' ' A' ' 140' ' ' ASN . 0.7 OUTLIER -61.93 128.77 37.75 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 176.751 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.37 -13.4 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.32 0.387 . . . . 0.0 111.54 -174.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.47 -20.26 66.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.162 0.506 . . . . 0.0 110.485 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 35.9 m-80 -97.25 2.64 51.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.211 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 136' ' ' PHE . 86.9 mt -123.81 93.08 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.854 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.9 p -61.3 121.79 65.72 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.068 0.461 . . . . 0.0 110.077 171.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.3 156.3 37.25 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.75 2.3 . . . . 0.0 112.987 -175.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -136.18 98.79 3.95 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 176.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 73.81 112.91 0.07 OUTLIER Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.985 -174.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -67.38 137.64 56.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.896 0.379 . . . . 0.0 110.915 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.61 -15.23 63.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.02 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.5 mt -93.0 90.44 6.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.001 0.429 . . . . 0.0 110.37 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -81.62 -32.06 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -59.36 129.16 40.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.59 -1.187 . . . . 0.0 110.242 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -56.62 123.49 15.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.835 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -63.17 125.86 25.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.118 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -74.48 106.73 6.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.532 -175.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -97.04 142.96 28.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.948 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 54.7 t60 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.737 -179.384 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.753 0.311 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -131.11 118.38 20.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 0.0 110.039 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 40.5 m-80 -121.81 5.62 9.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -64.35 -38.98 92.96 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.18 -32.85 63.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 35.1 ttm180 -64.62 -41.3 96.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.177 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 7.7 mtmp? -65.88 -40.79 91.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 177.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.93 76.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.738 0.304 . . . . 0.0 111.299 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.49 86.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.378 0.609 . . . . 0.0 109.571 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 88.1 mt -66.28 -33.91 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.324 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 70.1 m -64.65 -41.74 95.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.282 176.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -69.01 -39.12 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.771 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.0 tpt -61.0 -43.73 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.187 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 tm? -61.89 -48.76 79.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.78 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 34' ' ' THR . 85.1 mm-40 -66.03 -29.98 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.514 -177.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.577 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 59.1 m -75.93 -32.29 59.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.248 0.547 . . . . 0.0 110.682 175.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 9.5 t80 -70.54 -33.87 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.183 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.9 t -52.31 -50.92 76.84 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.577 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.7 Cg_exo -55.42 -26.22 52.39 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.253 1.969 . . . . 0.0 112.941 174.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 27.9 m-85 -74.84 -42.06 58.69 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.651 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 12.7 mmm180 -61.47 -37.94 85.44 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' HD23 ' A' ' 49' ' ' LEU . 17.5 m -52.27 -44.03 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.678 0.275 . . . . 0.0 111.178 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.94 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 110.151 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.97 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.08 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 58.0 mm-40 -68.97 -39.98 79.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.181 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -64.84 -43.25 93.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.84 -38.04 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.594 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . . . -69.83 -45.81 67.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.359 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.07 -17.35 64.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.1 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.47 -40.76 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -108.82 -12.65 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.312 0.577 . . . . 0.0 109.995 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.08 -19.41 30.72 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.07 152.31 17.33 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.862 164.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HG ' ' CB ' ' A' ' 51' ' ' ALA . 3.2 mp -73.11 -1.92 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.765 0.426 . . . . 0.0 111.98 -177.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 18.6 t70 -48.98 -32.94 10.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.647 0.379 . . . . 0.0 112.02 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -83.19 -0.43 49.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.191 0.519 . . . . 0.0 111.011 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HA ' HD12 ' A' ' 67' ' ' ILE . 34.8 m -107.54 63.28 0.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.501 0.667 . . . . 0.0 109.779 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.621 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 27.9 t70 -118.94 135.2 54.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.41 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.35 95.2 0.43 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.83 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.12 1.17 6.32 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.764 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 61' ' ' ASP . 59.4 p -145.91 161.48 39.94 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.977 0.388 . . . . 0.0 111.342 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 56.0 44.96 24.66 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.237 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.34 -19.27 28.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.872 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 60' ' ' CYS . 42.8 mt -87.32 127.7 57.94 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.05 164.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.201 1.934 . . . . 0.0 112.727 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.6 m -44.28 136.17 4.1 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.873 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -49.96 129.93 26.07 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.489 2.793 . . . . 0.0 112.956 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.4 p -113.54 176.15 5.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.589 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.8 p -131.74 129.96 41.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.103 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.7 p -73.97 177.16 5.82 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -53.82 -42.9 68.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -167.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -103.37 5.14 37.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 54.6 t -87.22 128.52 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.239 176.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 m -81.19 -42.36 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.633 -173.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.83 145.06 1.86 Allowed 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.471 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.4 ptm -169.32 146.87 3.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.86 0.362 . . . . 0.0 111.04 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -135.2 147.52 49.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.612 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.9 t -121.61 118.68 56.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.621 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -131.3 110.24 10.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.129 0.49 . . . . 0.0 110.778 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.2 mmtp 50.0 46.35 24.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.853 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.41 -24.7 5.43 Favored Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.212 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 61.6 t -64.46 138.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.6 t -134.62 112.72 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.078 0.466 . . . . 0.0 110.381 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 31.6 t -102.23 121.4 42.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.865 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.3 mm? -100.77 134.62 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.2 m -123.19 127.54 48.78 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.911 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 48.14 45.91 27.19 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.857 -1.065 . . . . 0.0 114.1 174.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.506 HE21 ' HG3' ' A' ' 92' ' ' GLU . 28.0 tp60 -72.97 122.7 22.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.211 0.506 . . . . 0.0 110.291 -177.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG3' HE21 ' A' ' 91' ' ' GLN . 48.4 mt-10 46.86 -116.48 0.69 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.782 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m -74.35 -14.43 60.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.817 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 53.3 mt -81.93 38.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.558 -174.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.5 132.47 51.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.917 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.25 -10.4 49.26 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.484 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.446 HD13 HD22 ' A' ' 94' ' ' LEU . 8.7 tt -93.21 133.63 36.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.061 0.458 . . . . 0.0 110.126 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -112.88 129.44 56.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.5 t -106.51 125.13 62.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.06 103.39 15.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 50.3 ttm -88.79 110.61 21.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.043 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.447 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 10.7 m -106.96 96.67 15.39 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.257 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 102' ' ' THR . 34.4 Cg_endo -66.23 139.59 55.73 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 112.543 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 112' ' ' THR . . . -136.71 129.75 4.95 Favored Glycine 0 N--CA 1.442 -0.964 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -123.23 52.53 1.38 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.92 0.867 . . . . 0.0 109.131 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.03 85.31 7.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.384 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -57.28 -37.42 72.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.826 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.7 -27.18 65.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.629 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -102.11 -0.06 33.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.966 0.412 . . . . 0.0 110.659 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.58 21.39 64.81 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.487 -175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 140' ' ' ASN . 97.6 t -102.76 94.36 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.128 0.489 . . . . 0.0 109.893 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 104' ' ' GLY . 26.3 p -127.81 99.04 5.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.809 -177.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.23 -160.59 32.9 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.365 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -117.31 124.25 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.517 0.199 . . . . 0.0 110.606 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.78 113.57 25.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -108.46 120.35 42.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.727 -176.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 17.5 m120 -112.2 125.65 54.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.244 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.0 m -102.57 115.61 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -115.53 105.04 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.0 111.133 -177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.2 tp -135.77 103.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.452 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -74.78 -39.78 61.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -167.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -98.3 2.69 48.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.484 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 6.7 m-20 -142.5 83.81 1.83 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.843 0.354 . . . . 0.0 110.558 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 17.8 t -60.49 -30.98 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.368 -177.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.09 94.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.914 0.387 . . . . 0.0 111.354 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.12 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.102 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -68.06 -43.7 78.05 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.777 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 124' ' ' SER . 97.6 mt-30 -56.64 -40.34 75.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -45.27 49.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.362 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.19 -49.58 55.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.925 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.8 tt0 -63.0 -25.74 68.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.356 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.72 -51.14 69.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.544 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 63.8 t -84.14 -49.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.328 0.585 . . . . 0.0 111.678 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 87.0 m-85 -86.11 21.87 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.123 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 14.0 ptm180 -49.36 145.93 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.386 0.613 . . . . 0.0 112.44 -173.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 116' ' ' ARG . 9.2 p90 -119.44 110.39 16.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.889 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -91.41 146.42 23.82 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.77 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -13.16 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.108 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.37 -22.13 63.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASN . . . . . 0.4 ' HA ' HG13 ' A' ' 111' ' ' VAL . 19.4 m120 -107.69 11.82 28.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -177.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 141' ' ' LEU . 2.6 pp -153.03 119.6 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.413 0.625 . . . . 0.0 111.185 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.96 129.65 49.45 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.052 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.04 133.85 34.81 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.462 2.108 . . . . 0.0 112.237 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -113.03 124.43 52.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.789 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.62 105.07 0.4 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.101 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.9 m -91.92 120.78 32.91 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.15 33.01 2.24 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.981 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.4 mt -77.06 90.84 3.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.987 0.423 . . . . 0.0 110.563 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.1 -10.9 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -86.62 147.86 25.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.02 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -104.92 161.76 13.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.136 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -132.08 55.33 1.88 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -76.08 -36.22 59.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.893 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -122.69 149.25 44.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.801 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.232 177.865 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.5 mtm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.661 0.267 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.89 123.74 28.53 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -109.32 27.12 9.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 -173.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -70.32 -37.75 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.218 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.37 -38.95 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.884 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.543 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 37.4 ttp180 -62.64 -40.9 98.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.099 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -59.78 -50.89 72.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.506 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.75 93.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.88 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 110.284 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 86.9 mt -68.48 -35.88 78.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.371 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 57.4 m -63.97 -38.55 91.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.953 176.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.2 -40.54 86.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.073 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.7 tpp -61.3 -43.32 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.881 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.55 -40.77 96.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.415 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 28.3 mm-40 -66.24 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.262 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.552 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.8 m -75.7 -29.41 58.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.377 0.608 . . . . 0.0 110.244 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.78 -34.62 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.388 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 78.8 t -50.75 -51.51 65.4 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.1 Cg_exo -55.29 -39.61 90.07 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.904 1.736 . . . . 0.0 112.558 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.495 ' O ' HG23 ' A' ' 47' ' ' VAL . 75.2 m-85 -72.26 -24.16 61.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.249 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.528 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 33.1 mtp-105 -55.35 -44.98 76.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.463 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 m -52.68 -47.13 67.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.12 86.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.251 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 43' ' ' TYR . 78.7 t -62.03 -48.36 88.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.47 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.6 mt-10 -60.29 -44.84 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -60.99 -43.26 99.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.072 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.6 t -72.27 -32.36 66.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.041 0.448 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB2' HD21 ' A' ' 57' ' ' LEU . . . -69.78 -41.91 74.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.695 -176.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -76.8 -19.99 56.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.46 -46.75 68.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -109.29 -11.7 14.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 -19.63 9.46 Favored Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.945 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.88 145.77 18.75 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.015 -1.088 . . . . 0.0 113.116 164.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 51' ' ' ALA . 43.7 mt -73.32 -2.04 20.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.059 0.544 . . . . 0.0 111.517 177.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 29.2 t70 -47.71 -33.88 7.54 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.3 p -90.66 -1.38 57.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.105 0.479 . . . . 0.0 111.983 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.401 ' SG ' HD23 ' A' ' 57' ' ' LEU . 34.8 m -93.04 72.32 4.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.406 -173.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.84 147.46 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.95 111.99 4.54 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.189 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.46 -4.1 19.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.549 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 p -129.8 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.717 0.258 . . . . 0.0 111.094 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 56.13 28.85 13.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.166 0.586 . . . . 0.0 112.454 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.64 -6.7 76.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.543 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.2 mt -76.4 130.15 77.98 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 46.1 Cg_exo -57.13 155.88 27.09 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.753 2.302 . . . . 0.0 112.854 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.4 t -88.18 138.69 30.54 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.72 124.88 14.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.197 2.598 . . . . 0.0 112.729 -173.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -144.65 179.76 7.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.12 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 54.4 p -130.71 126.67 37.06 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.968 0.413 . . . . 0.0 110.435 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.414 ' OG1' HG23 ' A' ' 76' ' ' VAL . 49.5 p -72.35 178.53 3.9 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -54.0 -42.73 69.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.343 -0.143 . . . . 0.0 111.098 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -89.98 -17.96 26.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.514 ' O ' ' HB ' ' A' ' 72' ' ' THR . 54.1 t -81.02 129.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.241 0.543 . . . . 0.0 110.531 -176.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -86.04 -42.71 13.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.544 -176.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.27 147.14 3.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.207 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.7 ptp -165.84 140.81 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.642 0.589 . . . . 0.0 110.222 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 23.7 m -129.15 145.4 51.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.595 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -118.44 112.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.13 110.97 11.55 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.05 0.453 . . . . 0.0 110.515 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 66.6 mttm 48.05 46.4 19.3 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.109 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.51 -24.89 5.36 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.854 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.3 t -68.04 142.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 80' ' ' SER . 23.2 m -137.2 113.6 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.632 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -104.65 129.0 52.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.462 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.7 141.94 50.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.867 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.1 m -132.33 150.93 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.941 0.4 . . . . 0.0 111.481 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.12 41.85 54.07 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.576 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 24.4 tp60 -83.13 125.71 31.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -174.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HG2' HE21 ' A' ' 91' ' ' GLN . 6.0 mm-40 57.31 -139.8 0.86 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.641 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -64.51 -13.31 51.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.893 0.378 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.2 mt -81.33 38.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.003 0.43 . . . . 0.0 111.041 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.439 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 28.6 t-20 -54.36 134.38 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.738 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.28 -23.46 15.09 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.844 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -85.64 138.13 32.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.741 0.305 . . . . 0.0 110.286 -176.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -118.75 135.6 54.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.051 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.24 128.26 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.79 108.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.925 0.393 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.4 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.0 tpp -97.59 110.58 23.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.75 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.571 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 4.4 m -111.04 90.45 11.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.971 0.415 . . . . 0.0 110.338 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.24 133.33 19.23 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.631 2.221 . . . . 0.0 113.075 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.78 42.11 1.17 Allowed Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.477 ' HA ' ' HA ' ' A' ' 112' ' ' THR . 3.7 t90 -86.7 49.88 1.9 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.554 0.692 . . . . 0.0 110.362 -173.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 109' ' ' ASN . 10.7 m-20 -87.86 60.13 5.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.502 178.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.55 -34.54 67.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.414 -171.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.98 -15.33 48.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.564 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 106' ' ' ASP . 71.0 m-20 -99.33 -28.06 13.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.896 -177.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.34 -77.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.06 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.05 177.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.411 0.148 . . . . 0.0 111.057 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 105' ' ' TRP . 8.8 t -169.52 140.77 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.912 0.387 . . . . 0.0 111.279 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' H ' ' HA ' ' A' ' 105' ' ' TRP . . . 125.53 169.27 12.86 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.036 175.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -119.96 132.09 55.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -92.95 113.03 25.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 136' ' ' PHE . 1.1 mpp_? -108.91 133.69 52.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.804 -177.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -140.26 118.74 12.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.783 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.4 m -104.34 115.08 29.75 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -114.89 104.92 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -175.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.418 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.5 tp -136.84 103.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.965 172.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -74.07 -38.88 63.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -169.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.9 p -88.63 -19.57 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -171.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.418 ' H ' HG13 ' A' ' 120' ' ' ILE . 6.8 m-20 -134.8 82.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.553 -169.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -60.17 -22.96 63.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.108 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.49 95.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.872 0.368 . . . . 0.0 111.014 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.26 -34.12 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 63.8 tt0 -62.93 -40.8 98.74 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.945 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -53.53 -37.85 63.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.596 0.56 . . . . 0.0 111.589 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.12 -45.64 47.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.7 t -69.22 -49.3 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 11.4 pt-20 -62.23 -25.1 67.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.32 -51.91 21.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.496 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.2 t -82.88 -49.02 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.287 0.565 . . . . 0.0 111.387 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -84.74 24.49 1.03 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 6.9 ptm180 -48.18 140.72 6.99 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.647 -170.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.461 ' HB3' ' HB2' ' A' ' 116' ' ' ARG . 6.5 p90 -117.48 124.55 49.04 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.42 -172.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.24 122.89 23.53 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 172.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.13 -12.11 25.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.694 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.26 -19.85 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.942 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -104.21 10.79 35.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.123 0.487 . . . . 0.0 110.528 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 91.9 mt -133.06 99.81 4.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.555 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.33 134.0 94.64 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.389 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.7 144.91 67.64 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.396 2.064 . . . . 0.0 110.994 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -106.32 110.67 22.97 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -171.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -77.88 -144.61 2.27 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.312 171.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.8 m -59.59 140.48 56.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.202 0.501 . . . . 0.0 110.991 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.63 32.58 2.46 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.075 -176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.41 116.8 9.38 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.19 -19.27 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.238 0.542 . . . . 0.0 110.007 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -91.41 166.69 12.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.554 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -109.45 138.29 46.03 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -133.09 75.4 1.62 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.897 0.379 . . . . 0.0 110.609 -173.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -125.82 33.67 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.229 0.538 . . . . 0.0 111.094 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -98.71 -73.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.532 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 74.1 t60 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.184 176.366 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.522 0.201 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -51.11 -60.28 3.27 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.051 -175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 87.3 m-20 -90.31 33.56 0.89 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -174.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.19 -44.96 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.194 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.12 -32.46 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.909 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HD2' ' HB3' ' A' ' 92' ' ' GLU . 25.2 tpp180 -66.19 -35.78 81.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.835 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 32.6 mmtp -65.45 -45.75 82.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.313 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.16 65.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.32 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' HB2' HG21 ' A' ' 133' ' ' VAL . 96.2 mt -66.08 -38.73 89.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 m -63.68 -40.73 97.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.211 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.13 -39.45 92.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.417 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 tpt -61.85 -46.43 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.255 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 20.7 tp -59.44 -44.13 92.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.198 0.523 . . . . 0.0 110.53 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 77.0 mm-40 -67.67 -24.2 65.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.471 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.579 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 48.1 m -76.42 -27.33 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 110.574 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 32.4 t80 -65.91 -34.99 79.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.618 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 62.4 t -57.16 -50.73 86.5 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.582 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 32.8 Cg_exo -61.63 -28.77 83.06 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.762 1.642 . . . . 0.0 112.635 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -72.05 -24.96 61.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.033 0.444 . . . . 0.0 110.007 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.618 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 23.3 mmm180 -55.49 -42.89 75.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.567 175.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.1 m -51.11 -47.14 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.282 0.364 . . . . 0.0 111.527 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.79 97.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.37 0.605 . . . . 0.0 110.512 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.25 -44.89 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.475 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 39.3 mt-10 -70.0 -34.49 73.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -64.03 -43.51 95.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.281 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 p -74.53 -37.27 63.11 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.266 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' HD23 ' A' ' 57' ' ' LEU . . . -54.31 -37.15 64.48 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.528 173.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.3 mt -78.21 -23.24 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.922 0.391 . . . . 0.0 111.145 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.2 -41.23 70.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.89 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -107.42 -12.44 15.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.147 0.499 . . . . 0.0 110.664 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.75 -20.54 6.27 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.665 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.67 164.97 13.41 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.945 163.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD23 ' HB2' ' A' ' 51' ' ' ALA . 56.8 mt -73.49 -1.37 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.332 0.653 . . . . 0.0 111.891 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 1.9 m-20 -48.08 -38.79 18.37 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.5 0.72 . . . . 0.0 112.261 -174.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -87.46 -6.45 58.4 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -89.99 69.45 7.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.126 0.489 . . . . 0.0 111.905 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -104.9 154.24 20.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.378 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.56 98.41 0.75 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.044 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.18 4.6 5.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.137 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -148.54 162.22 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.582 -0.363 . . . . 0.0 110.963 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 57.94 47.0 15.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.75 -9.08 46.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.901 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.3 mt -93.85 120.38 65.98 Favored Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.51 150.77 52.19 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.348 2.032 . . . . 0.0 111.881 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.8 m -48.92 134.77 14.41 Favored Pre-proline 0 C--O 1.237 0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.182 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -46.18 123.63 6.68 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.131 2.554 . . . . 0.0 112.103 -171.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -113.02 130.18 56.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.275 -169.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -103.02 125.32 49.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.373 0.606 . . . . 0.0 110.516 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.468 ' H ' ' HB ' ' A' ' 76' ' ' VAL . 43.3 p -80.25 179.11 7.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.567 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 74' ' ' ARG . 34.5 ttt180 -53.97 -36.73 63.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.665 0.269 . . . . 0.0 110.896 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -94.63 -25.02 16.94 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.588 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 73.9 t -80.45 124.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.551 0.691 . . . . 0.0 110.487 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -82.77 -46.01 13.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.826 -173.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.96 147.38 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptp -156.34 147.84 22.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 t -140.5 134.67 31.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.65 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 86' ' ' VAL . 23.1 t -114.1 121.42 66.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.16 110.6 7.47 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.163 0.506 . . . . 0.0 110.118 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 69.2 mmtt 53.35 46.88 25.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.384 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.96 -23.4 5.94 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.009 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 102' ' ' THR . 46.9 t -71.65 139.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 81' ' ' VAL . 36.0 m -129.45 117.46 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.714 0.769 . . . . 0.0 110.262 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 14.4 m -103.56 128.74 50.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.242 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.0 mm? -109.09 144.19 37.45 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.8 m -136.52 137.85 40.72 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.334 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.3 46.39 35.36 Favored Glycine 0 C--N 1.335 0.495 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.424 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.588 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 28.8 tp60 -93.3 125.43 37.9 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 122.771 -0.252 . . . . 0.0 110.48 -175.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 29' ' ' ARG . 26.8 mm-40 55.76 -133.49 1.54 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.327 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 27.4 t -67.54 -14.23 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.865 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 35.4 mt -83.18 39.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.373 0.606 . . . . 0.0 110.304 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -61.72 127.1 29.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.377 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.66 -13.85 59.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.345 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 7.4 tt -90.84 130.29 36.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.926 0.393 . . . . 0.0 109.983 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.6 m -108.56 122.65 47.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.335 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.6 t -100.58 127.28 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.8 t -113.26 102.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 54.0 tpp -90.06 110.27 21.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 37.2 m -111.33 95.17 24.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 36.3 Cg_endo -68.13 142.29 55.42 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.115 1.877 . . . . 0.0 110.885 173.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 111' ' ' VAL . . . 109.27 22.75 6.66 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.641 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -126.65 104.16 7.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.918 0.389 . . . . 0.0 110.043 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.438 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 30.8 t70 -153.36 134.75 14.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.536 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -69.45 -33.07 72.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.17 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.33 -55.51 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -99.03 -25.16 14.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.77 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.09 -66.46 0.42 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.749 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.44 ' HA ' ' HA2' ' A' ' 104' ' ' GLY . 12.6 p -95.65 -22.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.87 0.367 . . . . 0.0 111.751 -175.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.35 59.07 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.153 0.502 . . . . 0.0 111.663 -173.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 106' ' ' ASP . . . -162.4 175.49 38.84 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.651 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 29.1 m-90 -135.19 123.55 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.542 0.211 . . . . 0.0 110.478 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -89.78 130.98 35.96 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.4 mpt_? -108.38 133.16 52.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -144.26 128.64 17.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.957 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.97 124.93 43.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.272 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 40.1 m-80 -111.71 102.01 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.442 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 120' ' ' ILE . 6.1 tp -138.14 95.15 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.184 172.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -73.44 -15.54 61.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -167.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.5 p -102.23 -23.47 14.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.55 94.99 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 111.764 -168.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.3 m -60.84 -25.09 66.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.313 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.08 -31.72 71.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.689 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.07 -37.0 86.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.004 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -67.34 -35.22 78.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.37 70.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.524 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 31.7 p -68.62 -39.26 80.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.43 -26.55 68.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.018 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -68.97 -45.24 71.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.943 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 33' ' ' LEU . 98.9 t -83.16 -46.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 0.0 111.146 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.499 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 97.9 m-85 -84.05 20.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.49 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -49.4 150.46 1.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.441 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.51 ' HB2' HD11 ' A' ' 141' ' ' LEU . 88.3 m-85 -84.99 129.85 34.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.771 -167.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -55.82 126.19 24.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.68 170.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.73 -30.23 69.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.418 -177.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.21 -17.71 54.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.668 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -89.93 -0.38 57.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.802 0.81 . . . . 0.0 109.703 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 136' ' ' PHE . 69.6 mt -119.22 112.2 19.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.68 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 143' ' ' PRO . 7.2 p -83.06 115.89 61.31 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.478 . . . . 0.0 110.637 170.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 142' ' ' VAL . 17.4 Cg_exo -67.57 133.56 30.28 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.526 2.151 . . . . 0.0 111.767 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -110.51 115.02 28.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.13 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 95.15 -166.37 25.78 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.103 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 36.6 p -111.19 119.4 38.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 117.065 0.432 . . . . 0.0 109.978 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 98.17 -13.85 62.93 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.33 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.9 mp -89.82 90.41 8.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.055 0.455 . . . . 0.0 109.931 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.12 -33.75 11.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.14 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -69.56 122.22 18.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.589 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -88.69 106.54 18.4 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -77.49 170.88 15.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.153 0.501 . . . . 0.0 111.213 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -81.64 89.16 6.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.438 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -138.52 39.61 2.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.652 174.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.645 177.477 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.832 0.348 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.2 73.88 8.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.296 0.57 . . . . 0.0 110.986 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 16.8 m-80 -136.45 35.89 2.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.54 175.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -69.13 -41.48 77.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.648 -171.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.44 -44.79 70.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 110.279 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.576 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 15.0 ttp180 -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.291 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 26' ' ' ASN . 82.8 tttt -66.03 -42.83 89.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.09 73.0 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 122.216 -0.302 . . . . 0.0 111.093 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.52 98.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 109.664 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.5 mt -63.6 -33.35 75.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.517 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 66.8 m -68.23 -38.72 82.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.47 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.65 -40.72 80.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 109.864 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.8 tpp -61.13 -41.4 96.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.538 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 tp -59.83 -41.03 90.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.713 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.4 mm-40 -64.66 -34.49 78.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.972 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.556 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 45.5 m -75.27 -30.65 60.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 110.395 175.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -71.29 -34.79 70.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.59 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 55.5 t -48.65 -51.55 52.05 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.0 Cg_exo -54.63 -24.78 38.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.302 2.002 . . . . 0.0 113.305 176.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -75.51 -37.06 60.39 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.434 0.635 . . . . 0.0 109.316 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 97.1 mtt180 -56.9 -43.25 81.17 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.441 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.6 m -51.6 -38.33 54.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.583 0.552 . . . . 0.0 112.04 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.603 0.716 . . . . 0.0 110.22 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.92 -43.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.373 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 26.4 mm-40 -63.31 -41.32 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -62.46 -41.19 98.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.6 t -64.14 -45.28 89.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.048 0.451 . . . . 0.0 109.91 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -59.87 -26.2 65.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.845 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.3 mt -82.76 -31.81 28.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.795 0.331 . . . . 0.0 111.354 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -75.12 -44.2 48.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.537 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -108.12 -12.29 15.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.235 0.54 . . . . 0.0 111.077 -175.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 68.5 -20.2 0.36 Allowed Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.698 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.62 149.93 18.75 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.083 163.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 76.2 mt -74.18 -3.82 32.1 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.819 0.448 . . . . 0.0 112.165 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.68 -32.02 50.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 111.96 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.8 p -92.23 -3.7 55.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 58.2 m -89.22 70.19 8.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.125 0.488 . . . . 0.0 111.832 -170.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -109.51 145.68 35.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.22 114.49 6.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.556 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.31 3.23 25.99 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.298 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -148.49 167.66 24.76 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.816 -0.226 . . . . 0.0 110.736 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.6 m120 52.45 43.6 30.8 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.34 0.656 . . . . 0.0 112.615 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.7 -10.02 57.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.748 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 44.2 mt -91.78 118.66 68.41 Favored Pre-proline 0 N--CA 1.447 -0.578 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.1 Cg_exo -68.34 145.67 66.41 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.459 2.106 . . . . 0.0 111.5 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 p -52.78 125.29 38.15 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.17 130.1 37.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.052 2.501 . . . . 0.0 112.37 -174.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.2 t -120.11 178.14 4.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.317 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -126.82 126.04 42.7 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.0 p -75.01 178.07 5.89 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -53.94 -43.67 70.03 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.202 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -93.17 -14.83 26.65 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -81.61 130.94 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.183 0.516 . . . . 0.0 110.158 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -86.66 -47.13 9.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.787 -172.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -173.07 148.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.211 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptp -162.98 140.29 7.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.861 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 m -136.82 140.54 42.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.04 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -105.49 115.57 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 85' ' ' VAL . . . -130.61 110.56 11.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.258 0.551 . . . . 0.0 110.497 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 47.13 45.48 16.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.513 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.4 -26.19 3.09 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.816 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 82' ' ' ALA . 1.4 m -75.46 141.19 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.28 122.93 60.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.36 0.6 . . . . 0.0 110.892 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -103.24 124.03 47.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.821 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.01 146.59 41.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.588 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.8 m -132.52 137.64 47.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.364 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.63 46.97 38.12 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.949 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.481 HE21 ' HG3' ' A' ' 92' ' ' GLU . 20.8 tp60 -76.22 123.41 25.84 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.481 ' HG3' HE21 ' A' ' 91' ' ' GLN . 33.1 mt-10 46.02 -121.33 1.04 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.988 0.515 . . . . 0.0 111.96 -176.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -74.42 -13.24 60.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 62.8 mt -81.93 38.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.236 0.541 . . . . 0.0 110.301 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.26 130.46 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.458 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.54 -15.08 58.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.332 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.1 tt -93.31 130.71 38.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.155 0.502 . . . . 0.0 110.198 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 t -112.23 128.21 56.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.623 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.81 129.18 53.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.18 105.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 52.6 ttp -100.02 113.53 26.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.545 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 85' ' ' VAL . 32.0 m -107.01 100.96 35.2 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.185 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.05 158.48 57.73 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.834 2.356 . . . . 0.0 112.276 178.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.47 132.8 5.44 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -61.68 112.17 2.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.013 0.435 . . . . 0.0 110.168 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 111' ' ' VAL . 24.3 t70 -111.46 106.75 15.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.235 -177.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -68.15 -27.29 66.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.046 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.35 29.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.284 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -84.22 -23.68 30.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.811 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 89.67 25.44 27.67 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.514 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 106' ' ' ASP . 15.5 m -88.23 132.03 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.177 0.513 . . . . 0.0 110.664 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.6 m -71.34 -34.69 70.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.57 -172.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.03 -43.71 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.985 -1.102 . . . . 0.0 113.359 -175.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.0 m-90 -126.61 128.91 47.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.096 0.448 . . . . 0.0 110.943 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 111' ' ' VAL . . . -89.92 116.22 27.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 170.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.454 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 3.0 mpt_? -108.74 124.12 50.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -176.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -127.08 128.96 47.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.868 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.14 116.07 26.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.729 0.299 . . . . 0.0 110.305 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 20.1 m120 -110.26 106.62 16.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.3 -176.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.495 HG13 ' H ' ' A' ' 123' ' ' ASP . 3.4 tp -135.15 107.18 7.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.174 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.8 -39.43 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.3 m -86.82 -18.08 31.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -170.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.495 ' H ' HG13 ' A' ' 120' ' ' ILE . 12.8 m-20 -139.81 83.26 1.92 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.607 0.242 . . . . 0.0 111.01 -173.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.5 m -59.36 -28.0 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.758 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.16 -32.57 74.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 111.364 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 94' ' ' LEU . 78.0 mt -70.17 -30.59 67.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.0 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 94.3 mt-30 -57.38 -47.65 81.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.34 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.09 -46.56 67.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.156 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.12 -51.75 67.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 34.4 tt0 -66.07 -31.37 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 110.375 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 0.9 OUTLIER -69.93 -41.06 75.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.6 t -83.01 -48.22 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.041 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 44.2 m-85 -77.5 -20.67 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.233 -172.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 74.8 ttt180 -109.34 111.02 22.35 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.198 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -134.46 108.62 8.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.823 168.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -85.44 156.21 20.92 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 170.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.47 -19.68 62.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.154 -171.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.69 -22.98 56.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.071 0.462 . . . . 0.0 110.817 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -93.99 0.59 56.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.049 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.4 mt -116.33 100.07 7.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.059 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.16 129.86 92.77 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.276 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.5 133.11 55.92 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.27 1.98 . . . . 0.0 111.236 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -72.18 120.23 17.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.38 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -65.72 150.65 51.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.586 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.3 t -68.01 121.62 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.44 -18.85 20.17 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.795 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 77.4 mt -85.89 90.56 8.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -107.6 -39.65 5.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -174.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -85.23 99.78 11.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.156 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -65.74 107.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.468 0.652 . . . . 0.0 110.854 174.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -144.12 -22.76 0.56 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.293 178.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -120.91 45.98 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 109.697 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -165.72 -52.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.595 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 . . . . . 0 C--O 1.246 0.886 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.6 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.424 0.154 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.17 76.96 2.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.443 0.64 . . . . 0.0 110.229 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -120.75 25.44 9.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.484 -177.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -70.1 -35.75 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.212 -173.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.22 -34.78 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.08 0.467 . . . . 0.0 110.052 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.54 -35.99 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.206 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.13 -46.63 85.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.234 175.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.01 98.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -31.98 71.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.911 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.6 m -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.793 175.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.62 -40.92 89.01 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.036 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.813 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 33.5 tp -61.61 -42.44 98.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.1 mm-40 -66.48 -28.53 68.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.489 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.483 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 55.0 m -77.25 -33.36 55.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.195 0.522 . . . . 0.0 110.719 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.13 -36.82 75.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.645 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 99.0 t -57.0 -49.82 91.79 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 77.6 Cg_exo -51.64 -36.06 59.45 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.338 2.025 . . . . 0.0 113.059 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.1 m-85 -72.01 -34.51 68.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.253 0.549 . . . . 0.0 109.76 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.552 ' NH2' HG21 ' A' ' 47' ' ' VAL . 5.2 mmp_? -60.59 -40.23 90.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.052 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 24.9 m -53.69 -41.42 66.91 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.049 173.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.24 74.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.771 0.796 . . . . 0.0 110.326 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.552 HG21 ' NH2' ' A' ' 44' ' ' ARG . 87.6 t -71.16 -39.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 45' ' ' THR . 11.9 pt-20 -67.05 -32.94 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.261 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.97 -44.37 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.59 -32.6 74.12 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.396 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -40.0 76.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.467 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.42 -25.01 45.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.003 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.5 -43.71 98.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -108.43 -13.05 14.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.134 0.493 . . . . 0.0 110.598 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -19.77 5.62 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.088 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.21 145.83 18.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.656 164.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.3 -3.06 21.55 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.771 0.428 . . . . 0.0 111.276 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.11 -31.23 18.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.075 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.7 p -94.87 5.47 51.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.923 0.392 . . . . 0.0 112.038 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 78.0 m -101.71 73.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.427 0.632 . . . . 0.0 110.922 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -109.34 159.1 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.899 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.07 108.34 2.41 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.768 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.08 6.49 12.31 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.857 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -148.63 160.66 42.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.275 0.538 . . . . 0.0 111.49 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 53.41 46.67 25.8 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.053 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 -13.25 60.35 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.03 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.75 122.14 59.52 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.45 150.86 70.62 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.439 2.093 . . . . 0.0 112.479 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.8 m -50.73 140.82 18.86 Favored Pre-proline 0 C--O 1.235 0.293 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.894 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.543 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 23.4 Cg_endo -61.2 124.59 15.12 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.533 2.155 . . . . 0.0 111.831 -175.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -136.4 167.62 21.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.783 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.413 HG22 HG12 ' A' ' 76' ' ' VAL . 18.4 p -117.06 126.39 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.606 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.2 p -80.76 177.1 9.25 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -53.49 -39.17 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -174.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -100.0 12.73 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.413 HG12 HG22 ' A' ' 72' ' ' THR . 90.6 t -112.5 130.8 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.358 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 m -97.91 -39.34 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.723 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -146.34 154.3 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -174.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.543 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -163.01 160.16 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.324 -177.044 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -155.2 135.85 13.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.342 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 40.9 t -128.79 121.5 54.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.19 110.69 5.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.035 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 48.81 48.11 20.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.504 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.99 -23.3 18.21 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.115 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 62.3 t -65.7 133.27 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.89 109.86 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.217 0.532 . . . . 0.0 110.246 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 79' ' ' MET . 34.3 t -104.93 125.74 51.26 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.553 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -113.01 147.35 37.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 29.4 m -150.43 145.38 26.02 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 47.29 46.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.575 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -96.08 122.48 38.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.67 -119.84 0.64 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.042 0.537 . . . . 0.0 112.388 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 t -75.64 -14.36 60.36 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 111.597 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 79.0 mt -84.62 40.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.706 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -53.32 136.35 37.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.421 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.55 -22.21 4.85 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.89 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 89' ' ' THR . 9.4 tt -79.37 138.29 37.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.028 0.414 . . . . 0.0 110.566 -175.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 7.5 t -118.55 129.03 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.272 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 59.0 t -109.11 129.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.87 103.73 14.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.072 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 29.9 tpp -83.02 109.57 17.22 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 103' ' ' PRO . 6.0 m -114.68 117.37 42.47 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.857 -174.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 25.6 Cg_exo -64.07 127.94 20.57 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.124 1.883 . . . . 0.0 111.84 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.39 37.72 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.588 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 19.0 t90 -121.21 90.43 3.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.55 -16.62 16.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.151 -0.932 . . . . 0.0 113.201 -169.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -64.43 -26.97 68.68 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.182 -0.324 . . . . 0.0 111.78 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.84 -55.23 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -172.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -110.4 16.32 21.68 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.38 -57.95 2.86 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.419 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.43 -30.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.3 p -128.22 -169.72 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.218 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.588 ' HA3' ' O ' ' A' ' 105' ' ' TRP . . . 156.54 175.0 27.0 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -117.47 124.09 47.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.293 0.546 . . . . 0.0 111.101 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.86 141.26 29.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.73 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.555 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -108.62 140.93 41.3 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.125 -177.065 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.9 m120 -143.28 123.69 13.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.4 m -103.72 114.84 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -116.56 106.02 13.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.269 0.557 . . . . 0.0 111.256 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -134.37 108.68 11.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 172.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.84 -39.6 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -165.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 p -96.29 -18.46 19.98 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -133.21 89.7 2.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.874 -169.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 35.3 m -61.0 -25.83 67.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.793 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.19 70.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.014 0.435 . . . . 0.0 111.519 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.47 -37.27 60.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 31.7 tt0 -65.95 -43.89 86.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.601 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 124' ' ' SER . 98.9 mt-30 -52.71 -37.32 58.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.426 0.454 . . . . 0.0 111.36 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -47.1 29.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.163 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.69 -49.09 67.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 4.4 pt-20 -65.99 -23.82 66.65 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.65 -48.66 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.969 0.414 . . . . 0.0 110.296 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.65 -49.01 18.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.32 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.62 21.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.455 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 9.7 ptm180 -48.57 139.92 8.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.163 0.983 . . . . 0.0 113.448 -168.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 141' ' ' LEU . 5.3 p90 -134.81 122.21 21.75 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 113.946 -1.479 . . . . 0.0 109.851 -175.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -78.82 147.66 33.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.863 0.363 . . . . 0.0 110.061 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -77.99 17.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.565 -174.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.93 -34.72 24.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 110.032 174.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -82.03 -22.51 36.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.747 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 136' ' ' PHE . 62.9 mt -95.72 117.86 31.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.613 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 143' ' ' PRO . 4.9 p -52.91 123.47 32.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.659 174.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 142' ' ' VAL . 2.9 Cg_exo -75.04 160.71 39.72 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.016 2.477 . . . . 0.0 112.272 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -78.65 115.29 18.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.057 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 97.77 103.3 2.25 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.108 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.9 m -70.25 120.68 16.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.919 0.39 . . . . 0.0 110.721 -175.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 83.85 -4.36 82.85 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.61 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.7 mt -100.95 89.24 3.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.009 0.433 . . . . 0.0 110.365 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -83.29 -43.64 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -99.2 95.09 6.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.505 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -72.46 105.34 4.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.013 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -69.85 129.69 40.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.702 -175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -165.51 135.3 3.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.261 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -135.27 23.87 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.328 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.36 -175.645 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.822 0.344 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.489 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.2 pt-20 -88.21 -177.85 5.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.156 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.489 HD22 ' HG3' ' A' ' 25' ' ' GLU . 54.6 m-80 67.55 15.18 9.75 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.551 0.532 . . . . 0.0 111.532 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.38 -41.87 72.5 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.998 -172.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.45 -42.45 98.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.271 0.558 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 19.4 ttp180 -67.95 -34.42 76.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.826 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 54.2 mttm -56.55 -51.46 68.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.188 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.96 76.4 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.26 88.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 109.971 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 70.4 mt -68.86 -36.48 78.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.574 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.9 m -67.33 -38.27 84.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.169 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.07 -39.72 82.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.235 0.541 . . . . 0.0 109.897 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.723 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 16.1 ttt -59.48 -47.52 85.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.8 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 36.8 tp -62.76 -41.36 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.406 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -64.26 -30.57 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.861 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 31.5 m -75.13 -31.77 61.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.381 0.61 . . . . 0.0 110.412 177.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -71.36 -35.08 71.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.22 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.558 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 71.0 t -47.37 -51.89 39.94 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 53.0 Cg_exo -55.2 -37.5 94.24 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.0 1.8 . . . . 0.0 112.925 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.96 -26.12 65.78 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.421 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 55.3 mtm180 -58.28 -43.52 88.02 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.451 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.9 m -51.36 -40.09 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.392 0.432 . . . . 0.0 112.033 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.562 0.696 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.49 -42.54 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.284 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.2 mt-10 -62.29 -44.73 95.84 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.81 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.57 -43.36 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.627 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 t -64.78 -48.42 74.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.459 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -63.48 -23.72 67.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.032 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.0 mt -83.27 -50.11 8.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -70.02 -33.85 72.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.902 -172.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -106.47 -12.5 15.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.486 0.66 . . . . 0.0 109.899 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.07 -20.52 0.22 Allowed Glycine 0 CA--C 1.521 0.457 0 CA-C-N 114.829 -1.078 . . . . 0.0 114.058 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.27 151.7 18.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.691 -1.243 . . . . 0.0 113.064 164.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.695 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 17.7 mt -73.56 -3.0 25.17 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.072 0.549 . . . . 0.0 111.772 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.28 -38.08 50.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.845 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -90.78 6.24 45.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 16.0 m -100.49 54.93 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.489 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t70 -109.12 134.01 52.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.07 113.08 3.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.202 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.8 -4.71 22.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.28 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.6 p -148.3 174.39 12.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 61.33 29.64 18.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.788 0.328 . . . . 0.0 111.812 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.07 -8.33 70.94 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.427 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 47.8 mt -92.88 121.31 66.15 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 20.4 Cg_exo -65.13 145.48 84.69 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.462 2.108 . . . . 0.0 111.889 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.1 m -46.39 136.18 7.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.355 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -49.12 125.07 12.62 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.56 2.84 . . . . 0.0 112.883 -171.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 p -94.92 135.71 36.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.224 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 p -103.58 126.04 50.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.141 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 p -74.89 176.62 6.95 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.455 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -55.96 -43.07 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.14 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -90.97 -19.21 23.5 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.544 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 49.1 t -81.74 130.84 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -84.42 -52.51 6.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.419 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.13 142.18 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.597 0.237 . . . . 0.0 110.706 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ptm -161.37 143.44 11.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.25 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 31.4 t -133.64 145.15 49.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.734 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.27 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -128.47 108.81 10.85 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 46.45 48.44 13.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.669 -1.151 . . . . 0.0 110.976 -176.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.89 -24.35 6.85 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.395 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.86 133.45 31.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 80' ' ' SER . 58.8 t -129.4 112.18 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.044 0.449 . . . . 0.0 110.662 -172.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -104.87 124.08 48.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.028 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.16 148.44 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 m -140.42 149.52 42.7 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.293 -0.563 . . . . 0.0 112.294 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.87 46.1 31.89 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.762 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.723 ' HG2' ' SD ' ' A' ' 36' ' ' MET . 31.9 tp60 -88.66 124.45 34.1 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.831 -176.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' HG2' HE21 ' A' ' 91' ' ' GLN . 4.7 mm-40 45.84 -117.76 0.71 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.521 178.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.6 t -74.25 -14.62 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.003 0.43 . . . . 0.0 110.832 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 63.2 mt -89.58 37.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.188 0.518 . . . . 0.0 110.619 -175.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -53.55 133.01 41.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.574 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.15 -20.16 22.74 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.978 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.53 HD11 ' SG ' ' A' ' 118' ' ' CYS . 10.5 tt -86.69 143.96 27.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.887 0.375 . . . . 0.0 110.77 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 m -124.67 127.96 48.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.284 177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.59 129.4 54.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.41 108.63 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.127 0.489 . . . . 0.0 110.26 -175.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 47.9 ttp -91.56 111.5 23.04 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 11.8 m -115.72 82.55 10.46 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.823 -178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HG2' HD13 ' A' ' 57' ' ' LEU . 29.2 Cg_endo -65.51 131.0 26.56 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.266 1.978 . . . . 0.0 111.984 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.54 134.21 7.62 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 28.0 t90 62.69 39.65 10.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 122.503 1.144 . . . . 0.0 108.151 -170.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -72.07 -6.26 41.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.451 -175.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -53.7 -31.6 48.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.885 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.36 -22.92 65.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 0.0 111.332 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -105.51 -27.95 11.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.89 -9.21 70.67 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.01 -0.615 . . . . 0.0 112.163 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.01 96.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.77 0.319 . . . . 0.0 110.334 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.1 p -59.71 128.51 37.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.503 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.29 -65.7 0.55 Allowed Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.007 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -139.42 123.2 17.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -88.66 130.73 35.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.496 ' HB2' ' HG2' ' A' ' 135' ' ' ARG . 6.4 mmm180 -109.68 120.7 43.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -126.22 136.9 53.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.53 ' SG ' HD11 ' A' ' 97' ' ' LEU . 46.9 t -124.65 123.94 41.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -124.87 109.52 13.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 111.9 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.8 tp -134.6 110.88 13.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -71.65 -40.31 69.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -167.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -109.05 12.26 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -170.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -152.59 90.26 1.47 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.969 0.414 . . . . 0.0 111.962 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.3 m -60.83 -28.16 68.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.578 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.65 79.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.773 0.32 . . . . 0.0 111.463 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.12 -34.37 77.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -68.08 -38.23 82.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -53.96 -42.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.681 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.94 35.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.833 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.23 -53.53 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -68.36 -26.86 65.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.318 -175.319 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.89 -40.23 79.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.7 t -82.34 -40.06 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -83.08 -18.76 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 131' ' ' GLU . 57.8 mtp180 -111.08 109.09 19.02 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.581 176.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -116.86 104.95 11.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 160.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 14.6 m-20 -69.67 125.58 27.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.016 174.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.56 -14.96 48.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.624 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -77.87 -31.37 51.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.525 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -83.06 -19.48 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 137' ' ' ASP . 52.9 mt -87.85 165.34 15.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.534 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.9 t -95.68 124.07 53.96 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.31 132.96 31.04 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.017 1.811 . . . . 0.0 111.367 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -122.63 113.38 19.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.511 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -173.48 154.8 20.97 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.576 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.6 m -64.58 162.38 15.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.45 30.9 4.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.167 -1.016 . . . . 0.0 112.352 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.9 mp -75.55 111.17 10.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -87.74 -27.24 22.48 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.602 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -75.42 99.06 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.49 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -55.69 129.39 38.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.492 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -82.55 52.27 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -171.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -143.19 102.39 3.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -132.0 49.08 2.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.002 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.836 -177.577 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.441 ' HG3' ' HG3' ' A' ' 25' ' ' GLU . 26.4 ptm . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.538 0.208 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG3' ' HG3' ' A' ' 24' ' ' MET . 44.4 mt-10 -110.87 89.9 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.011 0.434 . . . . 0.0 110.887 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -112.53 9.28 19.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.068 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -61.49 -45.85 92.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.352 -174.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.7 -34.96 62.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.602 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 33.8 ttm180 -59.1 -41.92 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.739 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -57.93 -49.79 75.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.494 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.91 72.91 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.529 0.68 . . . . 0.0 109.45 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 68.2 mt -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.812 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 33.4 m -65.59 -41.92 92.29 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.228 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.31 -40.38 85.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.79 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.45 -42.27 98.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 41' ' ' VAL . 41.6 tp -57.97 -41.75 83.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 34' ' ' THR . 28.6 mm-40 -61.18 -34.26 74.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.423 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.572 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 39.2 m -75.7 -32.51 60.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.773 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.493 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 32.3 t80 -71.44 -35.07 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 37' ' ' LEU . 72.4 t -49.08 -51.12 58.9 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.572 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.8 Cg_exo -54.76 -32.46 76.59 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.015 1.81 . . . . 0.0 113.376 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -72.99 -27.79 62.01 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.154 -0.341 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -61.97 -37.93 86.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.162 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.43 ' O ' HD23 ' A' ' 49' ' ' LEU . 11.1 m -52.87 -45.13 67.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.579 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.29 76.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.561 0.696 . . . . 0.0 109.908 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.483 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 98.0 t -68.47 -39.68 81.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.585 -1.188 . . . . 0.0 110.123 176.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.85 -40.21 94.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.032 0.444 . . . . 0.0 110.225 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 45' ' ' THR . 4.0 mm? -62.33 -45.89 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.402 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 25.2 p -77.05 -21.62 54.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.692 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.95 63.86 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.29 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -81.12 -16.32 53.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.43 -34.8 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.569 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -107.25 -13.15 15.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 109.251 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.49 -20.5 6.05 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.239 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.93 158.09 14.63 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.399 161.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.79 -1.75 15.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.193 0.597 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.77 -34.91 13.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.841 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 p -87.63 9.86 19.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HA ' HD12 ' A' ' 67' ' ' ILE . 85.2 m -105.82 58.22 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.174 178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 32.2 t70 -106.68 140.01 40.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.764 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.39 101.91 1.67 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.132 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.86 5.91 23.36 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.96 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.0 t -148.14 161.11 42.1 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 59.64 38.44 22.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.653 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.5 -18.99 34.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.748 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 60' ' ' CYS . 53.6 mt -86.18 126.65 64.4 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.87 162.36 39.46 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.111 1.874 . . . . 0.0 112.355 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t -43.46 137.54 3.01 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.257 173.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.611 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 5.2 Cg_endo -46.48 142.7 9.26 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 124.208 3.272 . . . . 0.0 113.516 -170.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m -98.6 140.65 32.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.693 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.36 177.25 4.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.7 p -142.33 175.64 9.61 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.7 -41.69 97.93 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.076 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.494 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . 19.5 m-85 -82.74 -19.2 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -93.33 126.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.088 0.471 . . . . 0.0 110.841 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 t -91.63 -36.24 13.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.37 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.549 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -150.74 152.4 33.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.028 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.611 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -149.32 168.27 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.396 0.617 . . . . 0.0 112.121 -174.412 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 39.3 t -163.04 136.36 5.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.751 176.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.06 113.93 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -135.72 111.03 9.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.946 0.403 . . . . 0.0 110.311 -176.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 51.33 44.33 28.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.591 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 87.48 -24.91 8.87 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.417 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.84 129.75 34.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 80' ' ' SER . 61.8 t -128.93 111.27 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 -172.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 33.0 t -104.64 120.88 42.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.772 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mp -113.85 123.84 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 30.8 m -115.97 148.85 39.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.807 0.337 . . . . 0.0 111.316 -172.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.11 46.88 55.98 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 114.009 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.494 ' OE1' ' HB3' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -78.99 121.15 24.56 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 41.2 mt-10 34.79 -112.94 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -173.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -74.7 -13.89 60.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.422 -175.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 65.6 mt -84.38 37.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.176 0.512 . . . . 0.0 110.294 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.07 135.65 56.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.261 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.66 -10.46 62.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.632 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -100.1 138.51 37.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.958 0.408 . . . . 0.0 110.426 -177.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.2 m -118.29 121.08 39.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.356 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.547 HG22 ' SG ' ' A' ' 130' ' ' CYS . 21.6 t -90.09 119.81 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.06 102.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -177.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.493 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 56.8 ttp -87.09 110.84 20.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.5 m -107.72 90.36 6.17 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.171 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 58.3 Cg_endo -75.2 142.35 27.17 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.437 2.091 . . . . 0.0 111.826 176.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.07 -156.03 12.98 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.545 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.9 p-90 -128.91 27.87 5.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.287 0.565 . . . . 0.0 109.859 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -75.64 73.3 2.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.851 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -63.91 -26.4 68.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.61 68.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -77.27 -22.19 52.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.452 0.644 . . . . 0.0 109.608 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.46 13.8 77.67 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 114.726 -1.124 . . . . 0.0 112.334 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.8 m -82.91 130.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.045 0.45 . . . . 0.0 110.301 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 p -81.19 69.78 7.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.795 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . 80.27 -62.19 4.3 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.182 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -103.95 123.42 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.625 0.25 . . . . 0.0 110.351 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -95.07 134.74 37.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -113.28 121.99 46.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.159 0.505 . . . . 0.0 111.472 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -131.77 113.32 13.38 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.253 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.5 114.58 28.97 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -104.43 105.22 15.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.147 0.499 . . . . 0.0 110.678 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 4.5 tp -135.68 95.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.019 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.97 -20.71 59.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.405 -167.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.5 p -99.34 -15.49 18.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -145.7 80.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.776 0.322 . . . . 0.0 111.045 -171.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.8 m -59.77 -24.94 64.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.828 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.05 -32.82 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.82 -41.42 83.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -54.44 -41.35 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.861 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -48.14 24.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.547 ' SG ' HG22 ' A' ' 99' ' ' VAL . 42.0 t -62.27 -52.81 62.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.115 -174.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.88 -33.46 75.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.121 0.486 . . . . 0.0 110.617 -175.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.98 -38.6 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.161 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 75.8 t -80.97 -46.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -71.57 -18.6 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -110.67 112.54 24.5 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.358 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -123.23 107.56 11.83 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.497 168.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.05 116.34 18.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 170.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.21 -24.75 68.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.974 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.22 -23.74 57.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -88.6 -27.6 21.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.993 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.88 106.51 18.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.429 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.53 115.0 64.39 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-O 121.246 0.546 . . . . 0.0 110.291 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.97 133.62 15.37 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.539 2.159 . . . . 0.0 112.009 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -114.86 99.76 7.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.978 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 47.26 -144.51 5.11 Favored Glycine 0 C--N 1.335 0.49 0 CA-C-N 116.28 -0.418 . . . . 0.0 113.653 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.6 m -76.75 161.8 28.2 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 174.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.64 14.27 10.58 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.492 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.5 125.14 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.92 -37.99 87.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.939 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -95.19 74.95 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.377 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -95.14 127.52 41.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.625 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -60.84 110.23 1.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.58 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -76.26 117.11 17.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.474 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -93.48 -24.27 18.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 75.6 t60 . . . . . 0 C--O 1.25 1.109 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.343 -179.662 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -143.75 89.77 2.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m120 60.89 81.85 0.18 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.81 0.694 . . . . 0.0 111.391 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.17 -30.59 69.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.612 0.244 . . . . 0.0 111.277 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.4 -43.07 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' O ' HD13 ' A' ' 33' ' ' LEU . 38.4 ttm180 -66.59 -36.63 83.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.759 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -57.05 -46.28 82.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.097 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.89 75.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.808 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.19 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.062 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 29' ' ' ARG . 4.7 mp -63.99 -41.0 97.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.161 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -66.85 -37.25 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.87 -41.93 82.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.1 -39.89 95.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.144 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.2 tp -62.89 -41.93 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.464 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -68.0 -30.19 69.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.0 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.624 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 54.3 m -75.19 -27.48 59.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.17 0.509 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -70.03 -33.99 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.593 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 87.3 t -50.46 -51.96 59.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.624 ' HD2' ' O ' ' A' ' 39' ' ' THR . 47.1 Cg_exo -58.31 -25.44 72.67 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.258 1.972 . . . . 0.0 113.24 176.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.27 -34.59 61.37 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.524 0.678 . . . . 0.0 109.19 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 39.2 mtm180 -61.21 -34.16 74.64 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.195 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.608 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 25.6 m -50.84 -40.36 55.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.57 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.26 80.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.35 -41.25 73.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.329 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 44.7 mm-40 -64.41 -35.07 79.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.433 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 45' ' ' THR . 95.9 mt -61.42 -45.75 92.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.96 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.15 -45.62 76.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.568 177.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.07 71.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.752 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.6 tp -81.47 -21.54 38.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.969 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -78.45 -48.19 15.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -110.05 -13.68 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.62 -19.75 3.08 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 119.993 -0.337 . . . . 0.0 113.534 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.73 145.16 16.86 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.376 165.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 85.0 mt -74.92 -9.0 58.12 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.458 0.303 . . . . 0.0 111.713 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.4 -34.69 58.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.024 0.44 . . . . 0.0 111.741 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.9 p -82.55 -7.35 59.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.238 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 24.1 m -89.16 70.62 8.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 110.524 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -110.26 152.13 26.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.05 85.45 0.9 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.356 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.32 15.98 2.94 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.526 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 m -149.42 159.71 44.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.903 0.352 . . . . 0.0 110.802 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 54.7 41.21 32.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.158 0.583 . . . . 0.0 112.035 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.44 -19.17 25.09 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.172 176.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 60' ' ' CYS . 34.9 mt -84.42 120.96 75.0 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.12 156.39 33.74 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.316 2.011 . . . . 0.0 112.167 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -54.02 136.64 57.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.327 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 30.5 Cg_endo -62.35 156.15 53.0 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.101 2.534 . . . . 0.0 112.867 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.3 p -116.31 162.39 17.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.999 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.9 p -112.14 124.33 52.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.7 p -89.46 177.58 6.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.43 -43.62 68.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -98.87 16.52 22.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG22 HE22 ' A' ' 91' ' ' GLN . 98.4 t -104.75 129.61 57.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -92.78 -42.07 9.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -154.38 160.96 41.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.051 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -160.4 156.93 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.523 -176.392 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 77.6 p -157.21 141.68 16.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.868 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 86' ' ' VAL . 34.4 t -123.12 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.11 109.7 5.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.456 . . . . 0.0 110.083 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 54.25 41.34 32.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.237 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.76 -22.87 8.35 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 113.096 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.499 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 44.0 t -69.93 134.04 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 80' ' ' SER . 24.4 m -135.08 119.88 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.527 0.68 . . . . 0.0 110.872 -174.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.3 m -103.51 120.69 41.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.343 175.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 88' ' ' LEU . 1.8 mm? -114.44 111.19 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.113 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.504 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 33.3 m -106.49 148.16 28.52 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.536 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.75 47.84 82.47 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.436 -178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 25.2 tp60 -89.06 126.16 35.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 54.44 -141.45 0.86 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.172 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -65.49 -12.43 52.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.046 0.45 . . . . 0.0 111.469 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 35.7 mt -80.76 40.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.166 0.586 . . . . 0.0 110.858 -173.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -55.57 138.45 46.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.065 0.46 . . . . 0.0 110.535 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.25 -19.69 21.28 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.662 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.8 tt -88.93 139.38 30.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t -120.09 123.28 43.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.977 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 87' ' ' SER . 23.7 t -96.11 126.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.96 102.73 14.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 38.6 ttm -98.61 110.65 23.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.936 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 26.2 m -111.84 97.79 39.09 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.945 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.499 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 23.1 Cg_endo -64.2 129.87 25.5 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.064 1.843 . . . . 0.0 110.977 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.16 -46.5 5.57 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.364 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 58.79 27.69 16.37 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.028 0.918 . . . . 0.0 109.283 -175.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -101.03 84.15 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.993 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -65.01 -25.26 67.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.358 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.73 81.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.992 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -94.54 -0.15 54.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.109 0.48 . . . . 0.0 110.808 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.19 9.46 85.58 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.467 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.8 t -100.52 67.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.548 0.69 . . . . 0.0 109.958 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.4 t -90.7 -11.28 40.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.34 0.59 . . . . 0.0 109.762 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.05 -149.37 13.03 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.603 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' PRO . 21.4 m-90 -112.71 135.4 53.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 0.0 111.62 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.98 120.48 31.23 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -109.32 140.05 43.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.05 0.453 . . . . 0.0 110.852 -177.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -142.21 124.63 15.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.609 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -104.76 114.54 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -109.34 105.88 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -135.43 104.21 4.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.252 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -73.05 -38.39 66.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -168.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -98.65 0.64 45.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -145.67 75.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.495 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.5 m -59.24 -19.93 49.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.676 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.5 -32.8 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.188 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 56.7 tt0 -61.09 -48.36 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 177.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -62.23 -33.58 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.286 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.14 -41.96 60.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.002 0.43 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.416 ' HB2' HD13 ' A' ' 94' ' ' LEU . 48.8 t -64.81 -52.4 56.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.107 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 12.2 pt-20 -61.84 -24.15 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -178.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.17 -51.28 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.882 0.372 . . . . 0.0 110.695 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.53 -48.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.414 0.626 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -81.62 24.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.892 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -51.34 145.82 7.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.85 0.833 . . . . 0.0 112.662 -171.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -91.44 131.55 36.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.585 -178.354 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -61.4 134.65 57.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.247 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -69.14 0.25 4.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.201 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -76.15 -21.22 56.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.755 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -101.17 10.31 41.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.552 0.691 . . . . 0.0 110.121 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 136' ' ' PHE . 80.2 mt -127.22 92.63 3.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.846 -176.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.33 116.94 52.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 171.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.66 132.75 12.3 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.061 1.841 . . . . 0.0 112.211 -174.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -105.43 96.99 6.9 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 80.17 170.69 41.77 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -171.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.5 m -108.83 154.54 21.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.283 0.542 . . . . 0.0 110.29 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.15 33.94 3.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.0 -1.095 . . . . 0.0 112.759 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.71 90.02 7.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.137 0.494 . . . . 0.0 110.416 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -97.96 -13.16 21.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.437 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -135.82 127.38 28.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -110.13 152.9 25.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.678 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -130.54 23.18 5.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.064 0.459 . . . . 0.0 110.294 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -69.92 113.76 7.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.609 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -114.65 172.7 6.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.824 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 21.3 t60 . . . . . 0 C--O 1.245 0.826 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.669 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.37 -34.08 77.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.935 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.63 -49.37 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 44.9 ttp180 -67.66 -37.38 82.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.385 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.3 -48.03 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.52 70.92 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.9 77.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.534 0.683 . . . . 0.0 109.665 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.5 mt -65.54 -33.57 76.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.92 176.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 51.1 m -63.9 -42.77 97.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.076 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.08 -35.93 79.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.5 tpp -60.33 -43.79 96.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.671 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.15 -39.22 93.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.431 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.8 mm-40 -66.87 -24.51 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.591 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 27.1 m -75.13 -32.73 61.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.206 0.527 . . . . 0.0 110.09 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 25.7 t80 -70.21 -34.65 73.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.806 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 54.9 t -45.9 -53.41 21.15 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.4 Cg_exo -57.79 -36.7 98.2 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.76 1.64 . . . . 0.0 112.587 177.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -71.66 -25.76 62.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.245 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -58.03 -47.1 84.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.249 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -53.15 -42.04 65.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.504 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.421 0.629 . . . . 0.0 110.338 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.99 -45.82 95.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.948 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.37 -41.22 85.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.348 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.87 -44.08 91.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.85 -60.77 3.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.588 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.37 -29.21 65.83 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.19 -47.82 12.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.764 0.316 . . . . 0.0 111.496 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -77.22 -43.3 34.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -89.6 -6.67 56.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.671 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.3 19.79 57.81 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.155 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.96 140.72 10.92 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.647 -1.264 . . . . 0.0 111.585 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.3 mt -78.48 -26.27 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.907 0.854 . . . . 0.0 109.319 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.59 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.0 t70 -61.98 -25.53 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.125 -175.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.0 p -87.65 -7.47 57.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.214 0.531 . . . . 0.0 111.447 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 m -89.11 57.64 4.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.215 -172.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -104.93 151.65 23.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.058 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.64 119.39 8.31 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.429 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 5.35 32.6 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.669 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -148.61 165.97 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.892 0.346 . . . . 0.0 110.315 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 53.46 39.47 30.01 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.85 -13.52 48.0 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.752 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 38.8 mt -82.48 127.45 70.7 Favored Pre-proline 0 N--CA 1.447 -0.575 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 33.7 Cg_exo -57.91 159.71 17.19 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.772 2.314 . . . . 0.0 112.427 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -76.71 141.79 69.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.757 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.07 122.97 12.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.221 1.947 . . . . 0.0 111.497 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -149.82 179.44 8.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.288 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 p -129.74 126.53 38.44 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.165 0.507 . . . . 0.0 110.925 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.2 p -80.31 177.0 9.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -55.01 -43.58 73.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.845 0.293 . . . . 0.0 111.642 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -88.08 -18.96 27.75 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.466 -0.493 . . . . 0.0 112.085 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.44 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 57.0 t -81.42 127.43 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.143 0.496 . . . . 0.0 110.419 -176.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -85.98 -43.49 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.516 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.68 143.47 1.71 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.711 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 87' ' ' SER . 11.1 ptp -159.8 140.52 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.539 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 16.5 m -126.92 148.44 50.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.68 112.56 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.98 110.82 9.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 0.0 110.617 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 59.4 mmtt 54.22 40.18 31.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.419 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.08 -24.52 6.06 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.06 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.69 136.64 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 80' ' ' SER . 29.3 m -133.44 122.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.515 0.674 . . . . 0.0 110.448 -175.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 4.6 p -101.67 126.25 48.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.847 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -102.93 126.96 50.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.882 -1.053 . . . . 0.0 108.253 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -121.33 135.21 55.12 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.867 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.15 39.52 42.27 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.358 -0.837 . . . . 0.0 113.662 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.44 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 20.5 tp60 -82.48 127.1 32.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -174.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 60.68 -141.27 0.54 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.22 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -63.74 -12.67 36.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 130' ' ' CYS . 49.5 mt -81.25 37.44 0.45 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 111.284 -171.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -54.73 132.84 46.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.67 -20.55 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.708 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.559 HD11 ' SG ' ' A' ' 130' ' ' CYS . 9.8 tt -87.82 143.28 27.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.201 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 18.8 m -128.96 125.07 36.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.995 176.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 87' ' ' SER . 63.7 t -100.24 130.48 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.11 104.81 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.902 0.382 . . . . 0.0 110.423 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.524 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 39.7 tpp -91.24 110.9 22.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.608 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.3 m -115.43 93.79 37.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.701 0.286 . . . . 0.0 111.398 -176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.446 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 38.0 Cg_endo -68.09 135.86 36.01 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.802 2.334 . . . . 0.0 112.603 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.776 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.681 176.758 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.444 -0.786 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.524 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 22.2 m-90 -109.91 122.28 47.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.747 0.273 . . . . 0.0 110.544 -178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.48 133.33 36.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.125 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtm-85 -115.86 142.07 47.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.928 0.394 . . . . 0.0 111.45 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -145.84 140.04 26.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.698 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.1 m -107.65 116.32 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.449 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -110.41 102.29 10.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.135 0.493 . . . . 0.0 109.77 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.6 tp -138.49 100.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.455 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -75.82 -34.9 60.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.8 p -95.93 -9.52 31.04 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -142.81 85.92 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -60.67 -28.02 68.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.633 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.3 85.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.947 0.403 . . . . 0.0 111.388 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.74 -32.1 70.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.126 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.54 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 7.3 tt0 -63.01 -40.75 98.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.187 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.2 -36.92 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.356 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.78 -48.34 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' HD11 ' A' ' 97' ' ' LEU . 20.7 p -70.88 -42.18 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.307 -175.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.4 -23.79 67.02 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.032 0.208 . . . . 0.0 110.947 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.2 -49.43 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.917 0.389 . . . . 0.0 110.423 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 33' ' ' LEU . 91.7 t -82.88 -46.51 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.27 0.557 . . . . 0.0 111.207 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -85.82 24.07 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.781 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 . . . . . 0 C--O 1.236 0.352 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.609 -170.183 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 31.0 p30 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -74.02 -40.79 62.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.442 -172.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.38 -34.3 74.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.207 0.527 . . . . 0.0 109.766 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.8 ttp180 -67.45 -33.5 75.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 176.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 65.5 mttm -56.6 -50.43 71.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.195 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.89 82.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -62.34 -45.63 92.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.606 . . . . 0.0 110.132 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.5 mt -67.85 -32.66 73.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.031 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.1 m -64.65 -36.98 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.82 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.04 -39.14 83.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.83 -39.84 95.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.063 176.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.69 -43.0 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.33 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -68.65 -27.48 66.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.529 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.597 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 41.8 m -75.27 -30.52 60.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.301 0.572 . . . . 0.0 110.059 173.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 101' ' ' MET . 39.4 t80 -70.31 -34.23 72.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.951 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 77.9 t -50.16 -50.79 67.75 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.597 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.2 Cg_exo -56.68 -31.8 88.71 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.968 1.779 . . . . 0.0 112.955 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.24 -31.55 62.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.46 0.647 . . . . 0.0 109.631 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 98.8 mtt180 -58.55 -36.15 73.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.615 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.9 m -52.01 -42.49 63.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.121 0.263 . . . . 0.0 111.207 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 110.065 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.15 -42.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.16 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 43.2 mt-10 -65.58 -39.74 91.96 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -58.98 -44.25 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.381 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.25 -52.82 60.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.127 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.644 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -55.52 -27.9 51.52 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.705 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.43 -39.18 22.97 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.092 -0.38 . . . . 0.0 111.413 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.71 -44.34 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.767 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -107.63 -13.73 14.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 110.941 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 65.73 -20.46 0.15 Allowed Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.442 -0.799 . . . . 0.0 114.079 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.65 145.74 16.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 119.668 -1.253 . . . . 0.0 113.079 164.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.602 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 31.7 mt -73.22 -3.51 27.17 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.021 0.528 . . . . 0.0 111.239 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 4.2 m-20 -48.89 -36.95 18.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.186 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -95.19 4.72 53.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 30.6 m -94.26 56.96 2.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.504 0.668 . . . . 0.0 109.691 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -104.1 137.58 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.791 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.09 102.68 1.19 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.573 -0.823 . . . . 0.0 111.623 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.8 0.25 7.17 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.765 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.2 p -148.1 169.59 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.899 0.35 . . . . 0.0 110.469 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 58.71 34.17 23.59 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.743 0.417 . . . . 0.0 112.121 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.07 -18.86 33.63 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.478 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.9 mt -81.36 126.1 77.34 Favored Pre-proline 0 N--CA 1.448 -0.563 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.3 147.31 47.15 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.431 2.087 . . . . 0.0 112.44 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.2 m -46.49 136.52 7.29 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.238 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.29 135.76 53.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.98 2.453 . . . . 0.0 112.177 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 t -133.8 174.7 10.17 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.401 HG22 HG12 ' A' ' 76' ' ' VAL . 32.4 p -128.82 126.51 40.0 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.024 0.44 . . . . 0.0 110.395 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.432 ' OG1' HG23 ' A' ' 76' ' ' VAL . 52.9 p -72.14 177.53 4.37 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -55.02 -42.92 73.2 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.254 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -86.82 -18.52 30.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 72.1 t -82.08 129.51 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.176 0.513 . . . . 0.0 110.428 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 t -89.31 -40.31 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.924 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.0 139.36 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.9 ptm -166.93 143.68 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.365 0.416 . . . . 0.0 110.597 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -137.47 153.58 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.21 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.0 116.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.071 -176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.437 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -133.73 111.66 10.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 34.5 mmtp 53.47 42.61 31.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.104 -177.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.96 -23.75 3.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-N 116.444 -0.343 . . . . 0.0 112.967 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 52.3 t -66.22 139.18 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.2 t -135.55 110.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.967 0.413 . . . . 0.0 109.903 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 9.0 t -105.15 132.29 51.55 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.331 0.586 . . . . 0.0 111.073 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.93 142.43 45.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 m -123.48 130.28 52.46 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.96 0.409 . . . . 0.0 111.683 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 49.66 46.27 38.5 Favored Glycine 0 C--N 1.332 0.314 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.709 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.541 ' NE2' ' HG3' ' A' ' 92' ' ' GLU . 46.4 tp60 -69.81 124.28 23.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.534 0.207 . . . . 0.0 110.92 -175.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.541 ' HG3' ' NE2' ' A' ' 91' ' ' GLN . 44.9 mt-10 46.02 -117.29 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.142 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 m -74.38 -14.34 60.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.588 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 58.4 mt -84.94 38.74 0.72 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.272 0.558 . . . . 0.0 110.364 -172.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.8 136.27 55.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.568 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.49 -18.94 16.28 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.659 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.5 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.7 tt -88.2 137.74 32.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 m -115.31 125.53 53.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.407 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 87' ' ' SER . 36.6 t -101.84 133.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.71 105.55 16.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.33 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 35.5 tpp -89.52 110.54 21.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 m -116.08 106.59 49.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.608 0.242 . . . . 0.0 111.513 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.33 140.35 69.97 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 123.039 2.492 . . . . 0.0 112.413 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.387 178.755 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.931 0 N-CA-C 112.143 -0.383 . . . . 0.0 112.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -116.77 128.73 55.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.79 124.8 33.99 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.491 ' HD2' ' HA ' ' A' ' 134' ' ' PHE . 65.7 mtm180 -109.4 140.88 42.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.812 -173.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -144.1 130.2 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.012 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 82.2 m -108.96 115.21 29.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -110.82 105.0 13.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.028 0.442 . . . . 0.0 110.871 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.66 104.48 4.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.357 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.29 -38.21 63.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -169.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.2 p -95.67 -8.81 33.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -139.89 88.41 2.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.743 -170.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 39.8 m -60.64 -26.66 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.212 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.6 98.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.65 -33.2 74.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 109.823 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.48 -39.62 94.92 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.302 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 124' ' ' SER . 27.3 mm-40 -59.62 -38.31 80.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.991 0.424 . . . . 0.0 110.889 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.87 -48.15 26.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.926 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.19 -52.54 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.394 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.5 tt0 -64.47 -22.82 67.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.042 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.42 -49.19 78.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 0.0 109.806 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.1 t -83.89 -48.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.518 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.601 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 92.7 m-85 -90.75 24.72 2.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.402 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 27.4 ptt180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.069 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -62.92 -40.02 96.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.534 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.76 -41.9 71.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.986 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 25.0 ttp180 -62.84 -40.18 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.24 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.67 -47.58 77.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.37 78.1 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.309 0.576 . . . . 0.0 110.132 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HB2' HG21 ' A' ' 133' ' ' VAL . 87.3 mt -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.474 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.499 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 86.9 m -64.56 -39.93 94.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.082 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.53 -38.67 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.974 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.878 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.64 -41.83 91.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 34' ' ' THR . 30.6 mm-40 -64.53 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.602 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.515 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 m -75.35 -22.72 57.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.465 0.65 . . . . 0.0 110.403 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 30.2 t80 -70.44 -34.17 72.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.846 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.584 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 98.0 t -54.38 -50.63 83.95 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.984 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 50.9 Cg_exo -56.22 -24.54 51.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.27 1.98 . . . . 0.0 113.109 173.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 30.5 m-85 -76.12 -39.45 55.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 5.7 mmp_? -58.27 -44.17 88.27 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.451 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD23 ' A' ' 49' ' ' LEU . 13.2 m -50.77 -39.61 52.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.74 78.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.532 0.682 . . . . 0.0 110.553 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.4 -48.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.058 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 64.1 mm-40 -65.13 -37.48 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.908 0.385 . . . . 0.0 110.516 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 45' ' ' THR . 4.2 mm? -66.71 -36.21 81.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.439 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.6 t -65.88 -47.59 74.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.826 173.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.452 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -57.32 -24.25 53.86 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.619 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 tp -82.74 -39.77 21.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.949 0.404 . . . . 0.0 110.804 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -43.25 86.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.896 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -107.4 -12.47 15.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.379 0.609 . . . . 0.0 110.216 -176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 70.86 -21.47 0.6 Allowed Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.179 -0.918 . . . . 0.0 113.044 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.53 152.76 17.33 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.859 163.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 50.6 mt -73.42 -3.38 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.845 0.458 . . . . 0.0 111.433 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 6.7 m-20 -49.66 -40.39 39.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.319 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 p -86.85 -5.71 59.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.108 0.48 . . . . 0.0 111.631 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 29.3 m -91.67 57.0 3.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.378 0.608 . . . . 0.0 110.346 -173.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.594 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t70 -112.59 151.82 29.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.013 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.67 93.0 0.45 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.08 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.18 3.73 3.85 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.119 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -148.37 158.49 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.373 0.586 . . . . 0.0 111.476 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.58 47.35 18.72 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.914 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.21 -19.06 37.21 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.958 175.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -92.41 117.69 67.74 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.69 165.19 33.43 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.435 2.09 . . . . 0.0 112.438 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -45.99 142.06 4.1 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.177 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.79 134.72 64.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.081 2.521 . . . . 0.0 111.888 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -139.38 -179.96 6.19 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.9 p -132.08 126.54 34.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.12 0.485 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -77.3 176.5 8.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.17 -44.54 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -168.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -97.98 10.54 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.804 -0.56 . . . . 0.0 112.295 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.68 132.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.847 0.356 . . . . 0.0 110.126 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 m -87.07 -45.63 10.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.07 134.2 1.23 Allowed 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.056 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.6 ptm -158.53 141.5 14.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.424 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.2 t -130.99 147.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.0 119.7 60.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.594 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -133.75 108.85 8.74 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.4 mmtp 48.58 49.21 18.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.668 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.75 -24.31 4.53 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.349 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -70.7 142.63 15.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 25.4 m -133.35 117.09 26.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.492 0.663 . . . . 0.0 110.596 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 79' ' ' MET . 13.5 p -104.78 128.88 53.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.486 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.28 149.82 38.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.277 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.6 m -137.57 141.84 41.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.18 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.02 41.7 22.14 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.311 -0.859 . . . . 0.0 113.901 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.516 HE21 ' HG2' ' A' ' 92' ' ' GLU . 27.2 tp60 -73.9 123.14 23.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.786 0.293 . . . . 0.0 110.551 -174.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HG2' HE21 ' A' ' 91' ' ' GLN . 21.8 mm-40 48.14 -120.92 1.31 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.741 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.6 t -74.89 -13.63 60.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 111.28 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 71.1 mt -81.44 39.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.261 0.553 . . . . 0.0 110.535 -174.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -57.1 134.34 55.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.13 -16.18 34.78 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.617 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.3 tt -96.24 135.33 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.32 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.2 t -114.7 135.25 54.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.808 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 46.4 t -112.02 124.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.91 108.81 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 52.2 tpp -94.21 110.35 22.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.6 m -114.46 105.4 53.78 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.118 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HB2' HD11 ' A' ' 57' ' ' LEU . 16.4 Cg_exo -67.83 131.68 24.73 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.512 2.142 . . . . 0.0 111.418 173.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.424 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.728 -178.719 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 112.062 -0.415 . . . . 0.0 112.062 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.619 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 6.0 m-90 -88.99 123.56 33.43 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -95.77 135.84 36.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.645 0.259 . . . . 0.0 110.753 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.62 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -108.49 142.06 39.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.45 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 47.3 t-20 -142.08 120.17 12.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.267 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.1 m -105.63 115.47 30.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.15 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.9 m120 -108.09 102.27 11.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.6 tp -137.14 106.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.693 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.94 -38.62 64.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.8 p -97.12 -22.64 16.64 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -169.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.531 ' H ' HG13 ' A' ' 120' ' ' ILE . 13.1 m-20 -129.43 96.29 4.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.2 t -61.0 -29.3 69.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.313 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.454 ' HA ' HE21 ' A' ' 128' ' ' GLN . . . -64.31 -36.31 83.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.742 -177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.48 -36.27 80.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.269 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.591 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 45.2 tt0 -62.24 -44.44 96.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.454 HE21 ' HA ' ' A' ' 125' ' ' ALA . 49.2 mt-30 -57.59 -32.08 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.24 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.12 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.477 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 30.5 p -70.52 -48.13 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.381 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 10.3 pt-20 -63.03 -25.24 68.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.714 0.292 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 19.7 t70 -69.71 -43.3 72.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 33' ' ' LEU . 88.9 t -82.59 -43.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.189 0.518 . . . . 0.0 111.183 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.23 21.81 0.88 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.065 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 133' ' ' VAL . 6.1 ptm180 . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.492 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 121.052 0.453 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 76.2 t80 -64.77 -36.37 84.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.05 -38.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 0.0 109.987 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HE ' ' HB2' ' A' ' 129' ' ' ALA . 44.2 ttp180 -67.82 -34.15 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.36 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 27' ' ' TYR . 66.0 mttm -57.87 -49.17 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.325 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' O ' ' HB ' ' A' ' 34' ' ' THR . . . -61.14 -26.35 67.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.826 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.56 96.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.101 0.477 . . . . 0.0 110.028 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 94' ' ' LEU . 1.7 mm? -68.23 -31.78 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.068 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 31' ' ' ALA . 69.8 m -58.31 -45.94 87.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.07 -38.31 85.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 tpt -66.75 -40.6 88.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.413 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.7 tp -63.02 -40.8 98.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.104 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' THR . 83.1 mm-40 -67.18 -23.31 65.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.041 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.602 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 46.7 m -75.46 -34.47 60.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -70.22 -34.81 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 60.5 t -46.91 -53.16 28.34 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.602 ' HD2' ' O ' ' A' ' 39' ' ' THR . 31.5 Cg_exo -58.52 -33.41 98.02 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 112.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 47' ' ' VAL . 82.2 m-85 -72.24 -27.23 62.38 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.7 mtm180 -55.72 -47.74 76.36 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.622 0.249 . . . . 0.0 110.399 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 49' ' ' LEU . 12.4 m -52.63 -42.16 64.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.372 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.81 86.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.688 0.756 . . . . 0.0 110.061 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 43' ' ' TYR . 73.0 t -63.56 -38.86 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.482 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 48.7 mt-10 -61.36 -43.09 99.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.978 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -61.26 -45.01 96.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.8 t -68.52 -36.13 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.788 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.17 76.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -81.94 -25.4 34.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.922 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.12 -44.57 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.035 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -109.41 -12.97 14.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.351 0.596 . . . . 0.0 110.787 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.16 -18.72 12.32 Favored Glycine 0 N--CA 1.454 -0.149 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.72 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.48 151.41 18.31 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.107 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.56 -2.43 22.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.958 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 30.5 t70 -52.2 -30.22 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 p -90.01 -3.87 57.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -89.43 67.93 7.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.436 0.636 . . . . 0.0 111.056 -174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -102.85 137.6 40.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.514 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.83 108.95 2.47 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.718 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.39 -3.42 18.21 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.128 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -135.47 167.03 21.83 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.682 -0.305 . . . . 0.0 110.703 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 55.92 37.42 28.83 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.25 -2.81 60.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.689 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 56.4 mt -87.29 128.68 54.36 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 31.2 Cg_exo -59.88 164.44 11.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.749 2.299 . . . . 0.0 112.34 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -84.37 147.93 51.29 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.471 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.456 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 28.1 Cg_endo -62.71 124.55 14.31 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.85 1.7 . . . . 0.0 111.512 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -136.61 169.52 17.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.4 p -118.56 124.25 47.04 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.171 0.51 . . . . 0.0 110.518 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -82.02 177.99 8.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.374 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -53.58 -42.82 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -174.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.517 ' HB3' ' HG3' ' A' ' 92' ' ' GLU . 31.6 m-85 -92.53 -16.04 26.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.14 122.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 122.012 -0.43 . . . . 0.0 110.434 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -86.08 -31.02 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -162.39 145.31 11.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.973 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 87' ' ' SER . 4.8 ppp? -170.19 142.78 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.725 0.64 . . . . 0.0 110.151 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 70' ' ' PRO . 17.8 t -144.21 155.32 43.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.598 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 HG12 ' A' ' 86' ' ' VAL . 22.1 t -114.8 117.05 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.751 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.95 110.94 11.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.136 0.493 . . . . 0.0 110.31 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 31.4 mmtp 51.84 44.65 29.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.948 -178.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.41 -24.93 3.97 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.312 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.23 141.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.441 HG12 HG22 ' A' ' 81' ' ' VAL . 22.0 m -133.2 113.89 20.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.473 0.654 . . . . 0.0 110.487 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 79' ' ' MET . 21.1 t -104.12 123.02 46.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.812 177.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.59 158.19 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.128 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.469 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 15.9 m -144.8 146.04 31.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.681 0.276 . . . . 0.0 110.806 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.47 47.92 55.96 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.261 -0.881 . . . . 0.0 115.09 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.508 HE22 ' HG3' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -71.35 122.86 21.07 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 34.8 mt-10 43.03 -115.39 0.36 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -175.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 m -74.18 -13.65 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.459 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 33' ' ' LEU . 58.6 mt -85.19 38.54 0.73 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.087 -171.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.47 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 7.6 p30 -55.16 139.15 42.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.84 -23.87 5.55 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.971 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 10.0 tt -80.22 132.4 35.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 m -114.8 132.36 56.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.184 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.79 126.36 64.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.23 105.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.524 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 45.4 ttm -101.6 114.64 28.86 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.075 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 11.4 m -107.4 93.14 9.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.191 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 101' ' ' MET . 19.0 Cg_exo -65.81 145.75 81.53 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.588 2.192 . . . . 0.0 111.687 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.918 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.642 176.313 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.695 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -132.97 122.8 24.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.943 0.371 . . . . 0.0 110.532 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -90.45 113.01 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -110.0 121.01 44.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -118.62 121.02 39.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.525 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 72.3 m -103.69 116.21 31.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -118.98 104.36 10.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.58 100.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.28 -38.29 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -167.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 t -89.7 -23.3 21.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -132.34 92.56 3.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.8 m -61.33 -27.59 68.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.708 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.68 76.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.068 0.461 . . . . 0.0 111.337 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.54 -32.94 70.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 109.833 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -63.44 -37.22 86.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.652 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -54.37 -36.15 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.293 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.407 ' HB2' ' HE ' ' A' ' 29' ' ' ARG . . . -75.17 -47.04 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.33 -52.16 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.029 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 29.4 tt0 -61.15 -25.85 67.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.509 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.71 -52.12 66.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.911 0.386 . . . . 0.0 110.62 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.64 -46.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.325 -178.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.477 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 96.0 m-85 -87.22 22.63 2.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.209 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 16.0 ptp180 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.593 -175.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 120.98 0.419 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -62.03 -33.94 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 -174.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.1 -41.44 86.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.3 ttm180 -66.94 -38.57 86.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.108 176.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.92 -44.41 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.127 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.55 74.81 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.06 81.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.459 0.647 . . . . 0.0 109.595 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.2 mt -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.79 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -69.59 -37.6 76.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.25 -46.6 83.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.311 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 20.1 ptm -67.09 -35.56 80.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.111 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.5 tp -63.56 -42.24 98.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.294 175.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -65.64 -22.95 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.403 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.568 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.8 m -73.83 -37.28 64.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.399 0.618 . . . . 0.0 109.919 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 37.0 t80 -70.89 -34.34 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.233 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.0 t -47.23 -52.61 33.96 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 39' ' ' THR . 40.3 Cg_exo -58.32 -36.02 98.09 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.826 1.684 . . . . 0.0 112.39 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.466 ' O ' HG23 ' A' ' 47' ' ' VAL . 52.5 m-85 -68.51 -28.04 66.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.982 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.553 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 52.6 mtm180 -58.24 -46.24 86.29 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.496 ' O ' HD23 ' A' ' 49' ' ' LEU . 30.9 m -53.32 -44.1 68.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.454 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.24 85.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.424 0.63 . . . . 0.0 110.183 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 43' ' ' TYR . 76.4 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.98 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.0 -41.25 97.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.473 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -65.22 -41.77 94.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.417 ' SG ' HG23 ' A' ' 59' ' ' THR . 27.8 t -63.55 -50.65 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.991 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.15 -30.56 49.57 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.931 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -26.47 59.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.999 0.428 . . . . 0.0 110.784 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.66 -46.38 69.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -110.29 -12.48 14.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.131 0.491 . . . . 0.0 111.298 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 -19.94 12.8 Favored Glycine 0 C--N 1.321 -0.253 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.057 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.37 159.68 18.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.321 -0.942 . . . . 0.0 113.215 165.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 103' ' ' PRO . 44.2 mt -74.04 -2.81 25.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.419 0.688 . . . . 0.0 112.329 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.99 -38.39 36.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 ' SG ' ' A' ' 50' ' ' CYS . 8.9 t -82.31 -3.21 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 36.7 m -97.72 60.8 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.273 0.558 . . . . 0.0 110.953 -174.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.96 143.15 42.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.987 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.32 118.54 11.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.235 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.84 16.62 47.58 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.411 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.8 t -135.1 147.05 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 54.55 38.5 29.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.12 -10.41 53.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.764 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 67.1 mt -71.67 131.55 86.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 45.7 Cg_exo -57.64 169.39 2.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.995 2.463 . . . . 0.0 112.866 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 p -91.47 152.01 43.18 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.302 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -49.03 124.81 12.07 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.804 2.336 . . . . 0.0 111.646 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.9 t -143.31 171.35 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.973 -172.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.415 HG22 HG12 ' A' ' 76' ' ' VAL . 26.0 p -138.04 144.71 41.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.112 0.482 . . . . 0.0 110.837 -177.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 p -88.54 177.89 6.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -53.37 -41.81 66.23 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -171.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.4 25.06 10.07 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.133 -0.354 . . . . 0.0 111.799 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.417 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 93.3 t -116.88 131.82 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 109.947 174.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 m -82.65 -52.28 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.741 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.46 140.15 9.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.86 -0.155 . . . . 0.0 110.87 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.1 mtp -141.3 140.83 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.087 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 55.3 m -130.92 136.91 49.02 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.98 118.65 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.28 109.67 6.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.114 0.483 . . . . 0.0 110.117 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 49.6 48.62 21.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.039 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.81 -24.38 3.87 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.468 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.16 130.69 35.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.6 m -127.91 120.12 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.551 0.691 . . . . 0.0 110.364 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 36.1 t -104.26 130.93 52.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.743 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 135.06 54.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.686 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 m -121.08 139.0 53.92 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.912 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.66 46.51 30.57 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.861 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.505 HE21 ' HG2' ' A' ' 92' ' ' GLU . 32.1 tp60 -76.83 125.2 28.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.688 0.244 . . . . 0.0 110.903 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.505 ' HG2' HE21 ' A' ' 91' ' ' GLN . 17.5 mm-40 50.47 -125.11 2.22 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.532 0.333 . . . . 0.0 111.473 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -71.01 -13.81 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.385 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' ' 126' ' ' LEU . 53.5 mt -85.08 38.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.483 -172.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -53.38 132.38 39.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.653 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.67 -21.53 22.01 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.635 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.4 tt -86.28 130.94 34.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.2 m -113.43 120.96 42.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 87' ' ' SER . 30.7 t -92.47 129.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.35 105.07 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.467 ' HG2' ' CE2' ' A' ' 40' ' ' PHE . 40.1 tpp -94.72 110.84 22.64 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 35.6 m -112.02 96.06 32.42 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.947 0.403 . . . . 0.0 110.957 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 101' ' ' MET . 16.5 Cg_exo -67.55 160.69 46.84 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.952 2.435 . . . . 0.0 112.098 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.673 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.898 175.401 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.553 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 17.7 m-90 -121.01 123.22 41.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.226 0.513 . . . . 0.0 111.663 -175.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -89.26 113.63 24.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.458 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 80.8 mtm180 -109.95 131.42 55.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.571 -174.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -144.49 132.61 21.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.84 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.2 m -104.96 116.44 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.922 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -105.36 103.83 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.9 tp -136.26 105.33 4.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.644 174.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -74.09 -40.65 62.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.4 t -108.82 15.42 23.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -170.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.496 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 9.8 m-20 -147.95 82.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.114 -0.366 . . . . 0.0 111.472 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.63 -31.47 70.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.119 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.45 96.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 0.0 111.17 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 94' ' ' LEU . 90.1 mt -67.81 -32.45 73.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.14 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 9.9 tt0 -65.32 -45.2 85.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.315 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -52.78 -41.22 63.9 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.234 0.334 . . . . 0.0 111.806 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.75 -46.97 33.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.084 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.35 -52.27 54.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 3.7 pt-20 -65.12 -23.65 67.2 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.862 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.83 -43.08 76.28 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.778 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -83.33 -47.21 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.442 0.639 . . . . 0.0 111.172 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -87.01 26.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.875 0.87 . . . . 0.0 110.99 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 18.4 ptp180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 122.028 0.918 . . . . 0.0 113.256 -169.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -66.02 -36.08 82.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.93 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.38 -40.74 81.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.052 0.453 . . . . 0.0 109.785 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.3 ttm180 -66.58 -38.83 87.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.925 174.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -56.97 -49.34 76.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.578 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.73 -38.52 75.46 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.559 0.219 . . . . 0.0 111.56 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.77 86.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 73.5 mt -68.28 -38.97 82.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.088 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 34.5 m -65.25 -38.76 91.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.67 -39.53 84.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.7 tpt -61.52 -41.91 98.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.3 tm? -62.63 -47.24 84.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.594 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.1 mm-40 -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.6 m -75.42 -28.45 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.35 0.595 . . . . 0.0 110.7 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.597 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 9.3 t80 -71.1 -34.89 71.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.232 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.6 t -53.72 -48.61 92.77 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.527 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 64.9 Cg_exo -53.33 -28.97 45.65 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.319 2.013 . . . . 0.0 113.087 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -75.69 -39.8 56.88 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.594 0.711 . . . . 0.0 109.147 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 18.4 mmm180 -60.28 -40.87 91.95 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.873 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 49' ' ' LEU . 26.1 m -51.64 -42.18 61.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.73 92.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.594 0.711 . . . . 0.0 110.295 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.76 -40.05 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 70.1 mm-40 -66.61 -34.75 78.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.944 0.402 . . . . 0.0 110.28 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 45' ' ' THR . 2.9 mm? -66.18 -45.37 81.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.808 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 p -70.0 -36.13 74.9 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.729 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.79 65.19 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.483 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.19 -31.42 38.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.37 -33.99 76.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.983 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -108.97 -12.95 14.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.4 0.619 . . . . 0.0 110.317 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.24 -19.42 5.6 Favored Glycine 0 CA--C 1.52 0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.828 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.26 151.5 17.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.215 162.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.75 -2.19 22.34 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 111.598 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 20.2 t70 -48.1 -35.26 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -76.22 -10.6 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -93.38 69.25 4.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.375 0.607 . . . . 0.0 110.846 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.27 131.3 46.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.398 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.69 88.18 0.36 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.372 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.67 -1.61 4.37 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.468 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -140.65 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.901 0.351 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 54.67 39.3 31.18 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.89 20.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.73 121.45 81.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -77.03 149.48 28.75 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.051 1.834 . . . . 0.0 112.265 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -45.55 136.95 5.62 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HG3' ' HA ' ' A' ' 80' ' ' SER . 9.1 Cg_endo -50.17 123.7 11.5 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.264 2.643 . . . . 0.0 112.515 -172.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -95.04 128.58 41.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.305 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.41 HG22 HG12 ' A' ' 76' ' ' VAL . 22.2 p -103.28 127.08 50.71 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.219 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.555 ' OG1' HG23 ' A' ' 76' ' ' VAL . 28.4 p -80.14 177.44 8.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.301 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.604 ' H ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -53.84 -35.14 61.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -95.71 -14.92 23.0 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.555 HG23 ' OG1' ' A' ' 73' ' ' THR . 88.7 t -81.46 122.92 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.475 0.655 . . . . 0.0 110.219 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -86.32 -43.35 12.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.299 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -168.94 139.69 2.39 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.221 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.4 ptm -165.9 140.59 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.827 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 37.2 m -131.14 149.79 52.43 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.03 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.4 109.28 10.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.034 0.445 . . . . 0.0 109.959 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 72.5 mmtt 51.37 43.11 29.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.852 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.13 -24.2 4.85 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.421 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.79 137.17 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 80' ' ' SER . 59.5 t -134.12 115.15 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.979 0.418 . . . . 0.0 110.204 -173.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 13.9 m -103.0 122.55 44.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.754 176.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mp -115.54 119.4 36.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.175 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.0 m -114.82 143.7 44.68 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.915 0.388 . . . . 0.0 111.881 -172.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 49.5 44.39 36.81 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 114.982 -1.008 . . . . 0.0 114.111 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -86.5 127.44 34.87 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 60.74 -139.4 0.57 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.4 m -65.9 -13.15 59.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.872 0.367 . . . . 0.0 111.474 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.6 mt -82.11 39.1 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.164 -171.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.414 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 54.5 t30 -55.36 135.89 49.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.33 -15.65 33.36 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.716 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -91.33 137.3 32.47 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -123.63 121.24 35.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.843 0.354 . . . . 0.0 110.094 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 87' ' ' SER . 50.4 t -91.34 130.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.45 103.62 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.597 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 17.2 ttt -96.02 110.38 22.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.283 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.0 m -107.53 94.2 11.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.294 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 114' ' ' TRP . 81.8 Cg_endo -77.88 162.41 29.49 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.402 2.735 . . . . 0.0 113.514 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.217 174.745 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 112.068 -0.413 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.501 ' HB3' ' HE2' ' A' ' 101' ' ' MET . 19.8 m-90 -142.35 122.07 13.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.29 112.8 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -110.42 131.92 54.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.977 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 16.7 t-20 -142.03 134.05 27.45 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.655 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 85.0 m -102.79 116.08 31.87 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -107.24 104.4 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.883 0.373 . . . . 0.0 110.503 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.495 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 6.1 tp -136.17 102.08 2.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.356 0.598 . . . . 0.0 109.583 174.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -73.55 -38.37 65.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -167.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.9 p -99.99 -2.98 33.13 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -171.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.495 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.4 m-20 -139.84 83.53 1.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.737 -171.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 m -60.6 -28.42 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.37 85.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 94' ' ' LEU . 86.3 mt -70.36 -35.65 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.26 -43.12 99.55 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.814 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.87 -50.39 63.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 0.0 110.386 -176.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.52 -40.32 70.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.348 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.72 -47.46 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.756 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.85 -25.47 65.06 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.484 0.714 . . . . 0.0 110.884 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -69.21 -50.84 43.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.008 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.7 -47.93 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.46 0.648 . . . . 0.0 111.586 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.448 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.6 m-85 -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 110.856 -176.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 135' ' ' ARG . 13.1 ptt-85 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 114.864 -1.062 . . . . 0.0 113.285 -173.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.1 m120 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.17 -38.51 83.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.592 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.32 -46.37 90.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.186 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.571 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.4 ttp180 -67.85 -36.3 80.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.773 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 95.3 mttt -59.73 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.29 -37.66 72.76 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.42 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.43 0.633 . . . . 0.0 109.708 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 59.6 mt -68.73 -31.95 71.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.888 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 76.5 m -65.11 -42.61 93.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.38 -36.52 84.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.0 0.428 . . . . 0.0 110.395 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' HG22 ' A' ' 76' ' ' VAL . 14.1 tpt -65.79 -41.86 91.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.051 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -60.0 -42.87 95.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.199 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 33.2 mm-40 -61.29 -34.28 74.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 178.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.613 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.2 m -74.97 -29.55 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.194 0.521 . . . . 0.0 110.669 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 26.2 t80 -70.32 -33.7 71.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.597 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.1 t -45.95 -52.63 25.19 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' A' ' 39' ' ' THR . 42.7 Cg_exo -56.79 -42.9 59.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.773 1.649 . . . . 0.0 112.342 176.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 47' ' ' VAL . 58.3 m-85 -58.63 -36.62 74.36 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -55.75 -51.29 67.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.468 ' O ' HD23 ' A' ' 49' ' ' LEU . 33.2 m -52.29 -43.57 64.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.33 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.96 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.077 0.465 . . . . 0.0 110.58 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 43' ' ' TYR . 70.6 t -64.58 -39.48 85.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.462 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.38 -38.13 84.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.006 0.432 . . . . 0.0 110.205 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -67.11 -45.68 76.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.502 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 27.6 p -72.06 -23.54 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.45 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 57' ' ' LEU . . . -71.07 -45.74 63.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.45 -27.61 62.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.54 -46.68 88.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -108.83 -12.65 14.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.437 0.637 . . . . 0.0 110.647 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.22 -20.07 3.36 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.193 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.09 145.24 18.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.262 -0.97 . . . . 0.0 112.818 163.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 51' ' ' ALA . 36.0 mt -73.84 -3.07 26.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.796 0.438 . . . . 0.0 111.567 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 7.8 m-20 -48.53 -35.0 12.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.234 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.58 1.23 55.64 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.3 t -97.06 70.11 2.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.458 0.647 . . . . 0.0 109.481 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.511 ' OD1' ' HA ' ' A' ' 82' ' ' ALA . 17.7 t70 -114.01 147.29 38.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.077 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA3' ' HD3' ' A' ' 70' ' ' PRO . . . -63.82 103.55 0.72 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.077 -0.511 . . . . 0.0 113.082 -175.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.08 17.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.07 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 p -143.14 161.13 39.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.025 0.413 . . . . 0.0 110.402 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 53.55 33.0 15.3 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.75 5.24 86.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.873 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.14 126.18 70.56 Favored Pre-proline 0 N--CA 1.449 -0.475 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.38 163.34 12.72 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.643 2.229 . . . . 0.0 112.937 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -87.26 128.99 53.24 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.053 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 62' ' ' GLY . 12.1 Cg_endo -54.05 125.7 19.63 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.123 2.548 . . . . 0.0 112.113 -175.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -143.19 -177.67 5.47 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.037 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 HG12 ' A' ' 76' ' ' VAL . 36.5 p -131.22 125.93 34.22 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.207 0.527 . . . . 0.0 111.282 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -81.17 178.37 8.44 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 171.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -52.97 -43.51 66.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -171.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -102.06 27.83 6.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.567 HG12 HG22 ' A' ' 72' ' ' THR . 91.1 t -115.69 129.91 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 m -88.08 -44.8 10.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.17 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.05 149.81 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.4 ptp -163.3 143.24 8.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.706 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 m -135.77 134.66 39.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.809 174.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -103.25 116.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.511 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . . . -132.85 110.59 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 30.0 mmtp 52.91 44.44 30.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.83 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.44 -24.7 3.53 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.089 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 56.0 t -66.45 142.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.67 109.5 17.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -104.86 127.76 52.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.026 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.84 148.97 37.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.116 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.4 m -123.65 128.78 50.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.979 0.419 . . . . 0.0 111.434 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 51.24 48.06 48.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.011 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.427 HE21 ' HG2' ' A' ' 92' ' ' GLU . 29.6 tp60 -72.58 126.16 29.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.695 0.283 . . . . 0.0 110.621 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.427 ' HG2' HE21 ' A' ' 91' ' ' GLN . 19.6 mm-40 55.76 -138.39 1.04 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -64.48 -13.92 54.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.413 . . . . 0.0 111.405 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.52 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.0 mt -83.29 38.88 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 110.502 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -54.75 137.45 44.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.194 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.91 -25.49 9.79 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.817 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 118' ' ' CYS . 51.1 tp -75.04 125.7 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.897 0.38 . . . . 0.0 111.127 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t -101.33 111.96 24.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.629 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.521 HG22 ' SG ' ' A' ' 118' ' ' CYS . 31.9 t -99.11 122.46 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.5 t -114.74 102.55 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.956 0.407 . . . . 0.0 110.209 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 40' ' ' PHE . 57.2 tpp -86.03 110.53 19.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 m -112.9 98.78 46.43 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.374 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.46 129.16 15.4 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.292 1.995 . . . . 0.0 110.784 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.662 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.132 -178.299 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.751 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -102.84 129.17 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 111.614 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.75 133.39 44.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.397 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 3.2 mpt_? -109.88 139.16 45.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 -176.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -144.38 112.96 6.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.479 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.554 ' HB3' HD11 ' A' ' 97' ' ' LEU . 3.7 m -103.94 116.58 32.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.3 102.89 12.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.418 ' HB ' HD13 ' A' ' 97' ' ' LEU . 6.5 tp -138.08 100.67 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.326 0.584 . . . . 0.0 109.643 173.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER -73.44 -38.6 65.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -169.396 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.7 p -87.89 -23.08 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.76 84.25 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.7 0.286 . . . . 0.0 111.701 -170.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 64.9 m -60.66 -22.59 64.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.92 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.68 75.8 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 94' ' ' LEU . 49.9 mt -68.6 -38.17 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -65.01 -38.68 91.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 124' ' ' SER . 87.2 mm-40 -55.22 -44.08 75.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.28 73.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 1.7 t -62.86 -44.86 95.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 25.9 tt0 -55.75 -27.79 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.524 -178.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.98 -55.57 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.583 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.43 -49.49 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.645 0.736 . . . . 0.0 111.698 -175.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.465 ' HB2' ' SG ' ' A' ' 130' ' ' CYS . 87.4 m-85 -87.13 24.7 1.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.251 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 23.5 ptt180 . . . . . 0 C--O 1.238 0.461 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.985 -173.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 90.4 m-20 . . . . . 0 N--CA 1.467 0.388 0 CA-C-O 120.557 0.217 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -58.44 -49.13 78.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.918 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.33 -37.6 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.8 ttm180 -67.56 -34.0 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.677 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 31.2 mmtp -55.28 -50.31 69.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.204 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.81 95.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.349 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -59.73 -45.23 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.219 0.533 . . . . 0.0 110.552 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 78.1 mt -65.74 -34.0 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.9 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -67.71 -36.99 81.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.264 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -67.4 -39.77 85.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.115 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.89 -40.75 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . 28.7 tp -63.47 -45.3 91.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.398 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.33 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.614 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 40.5 m -75.35 -31.08 60.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 110.485 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 45.9 t80 -71.12 -34.33 70.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.865 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.4 t -46.24 -52.84 25.99 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.614 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.9 Cg_exo -58.61 -30.24 91.5 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.889 1.726 . . . . 0.0 112.936 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -75.15 -26.06 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.687 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.6 mtm180 -59.65 -35.87 75.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.347 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' HD23 ' A' ' 49' ' ' LEU . 14.5 m -51.01 -36.99 42.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.794 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.52 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.675 0.75 . . . . 0.0 110.312 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.08 -42.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.333 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 45.0 mm-40 -65.03 -41.65 95.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.788 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -61.14 -40.02 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.637 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.23 -49.03 77.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.525 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -62.16 -20.48 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.001 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 85.4 mt -82.85 -50.28 8.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.238 . . . . 0.0 111.486 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.27 -36.61 63.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.27 -171.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -103.0 -12.98 17.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.405 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.0 -21.07 0.2 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.99 -1.005 . . . . 0.0 114.376 177.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.02 144.54 16.17 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 119.442 -1.361 . . . . 0.0 113.162 164.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.711 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 4.1 mt -75.06 -5.25 43.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 9.0 m-20 -57.45 -32.19 66.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.147 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.7 p -83.91 -7.97 59.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.209 0.528 . . . . 0.0 111.419 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.711 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 56.1 m -86.61 67.28 9.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.334 0.588 . . . . 0.0 110.967 -172.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -109.43 140.45 43.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.5 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.15 118.22 12.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.969 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.64 4.2 43.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.716 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.4 p -145.36 168.11 21.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.98 0.39 . . . . 0.0 110.947 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 54.66 37.02 27.45 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.881 0.472 . . . . 0.0 112.157 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.19 -8.12 72.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.936 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mt -85.6 131.09 48.67 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.84 168.07 4.73 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.848 2.365 . . . . 0.0 112.477 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -73.61 139.57 77.84 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.025 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.58 123.32 12.5 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.096 1.864 . . . . 0.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p -145.35 -177.47 5.57 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.069 -175.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 23.4 p -131.38 127.16 36.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.0 p -71.7 177.34 4.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.334 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -54.51 -43.28 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.45 -17.1 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 55.2 t -81.67 131.2 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.091 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -40.32 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.015 -172.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.35 143.94 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.203 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' O ' ' A' ' 87' ' ' SER . 10.4 ptp -164.55 140.37 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.131 0.491 . . . . 0.0 110.422 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 20.3 m -131.37 141.76 49.94 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.395 177.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.13 119.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.73 109.37 7.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.0 mmtp 53.93 39.72 30.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.906 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.15 -24.44 5.41 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.067 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 101' ' ' MET . 40.3 t -70.79 132.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.566 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.3 m -129.04 122.78 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.46 0.647 . . . . 0.0 110.6 -175.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.2 m -103.78 125.06 49.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.057 176.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.68 116.91 28.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.299 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.2 m -106.75 144.06 33.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.881 0.372 . . . . 0.0 111.352 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 50.13 46.05 42.8 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.008 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 27.7 tp60 -83.81 126.0 32.51 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HB3' ' H ' ' A' ' 93' ' ' SER . 19.2 mm-40 57.48 -143.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.89 -0.141 . . . . 0.0 110.734 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.439 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 17.8 t -63.15 -13.04 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.398 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 60.0 mt -79.98 38.42 0.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.022 0.439 . . . . 0.0 110.925 -174.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.437 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 58.0 t30 -52.59 132.65 35.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.576 175.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.27 -22.25 20.53 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.354 -0.45 . . . . 0.0 112.504 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.0 tt -86.28 133.5 33.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.851 0.357 . . . . 0.0 110.236 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m -112.32 118.81 36.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.09 126.62 42.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.57 114.03 42.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.53 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 52.7 ttp -99.77 114.89 28.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.638 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 m -108.74 93.1 11.48 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.542 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 29.9 Cg_endo -66.69 129.99 22.36 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.873 1.715 . . . . 0.0 111.239 172.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.774 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -177.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.897 0 N-CA-C 112.128 -0.389 . . . . 0.0 112.128 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -129.35 124.28 33.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -89.97 135.71 33.48 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 134' ' ' PHE . 29.6 mmt180 -114.0 141.19 47.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.006 0.432 . . . . 0.0 111.931 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -145.69 137.84 25.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.462 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.7 m -114.92 115.04 26.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -109.52 103.37 12.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.533 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 127' ' ' GLN . 5.6 tp -138.08 96.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.221 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -75.17 -26.77 59.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -166.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.5 p -100.33 -10.45 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.418 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.8 m-20 -138.19 85.44 2.1 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.135 -0.353 . . . . 0.0 111.628 -170.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.6 m -61.05 -26.74 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.22 93.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.003 0.43 . . . . 0.0 111.031 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.59 -37.13 79.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.139 0.495 . . . . 0.0 109.79 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 120' ' ' ILE . 34.8 tt0 -62.06 -42.77 99.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.129 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -54.34 -41.73 69.41 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.676 0.61 . . . . 0.0 111.209 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.41 43.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.56 -46.05 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.77 -22.39 64.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.79 -53.32 28.06 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.153 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.17 -48.17 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.342 0.592 . . . . 0.0 111.134 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 97.6 m-85 -89.25 26.35 1.66 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.781 -176.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.127 -172.471 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 91.1 m-20 . . . . . 0 C--O 1.225 -0.227 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -59.5 -49.73 76.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.897 -172.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.16 -38.65 78.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 93' ' ' SER . 20.1 ttp180 -65.85 -32.74 74.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.547 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 67.8 mttm -58.02 -49.49 76.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.406 176.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.9 85.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.92 98.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.301 0.572 . . . . 0.0 110.028 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.55 -40.46 80.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.289 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 59.4 m -63.83 -41.05 97.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.577 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.15 -36.08 77.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.531 ' SD ' HG22 ' A' ' 76' ' ' VAL . 11.2 tpt -64.14 -43.0 96.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.986 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.28 -38.36 83.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 0.0 110.103 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 34' ' ' THR . 32.7 mm-40 -68.15 -29.92 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.79 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.636 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.7 m -75.27 -29.81 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 110.266 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 24.1 t80 -66.79 -33.71 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.691 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.604 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 76.3 t -47.61 -54.37 23.33 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.636 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.5 Cg_exo -55.77 -30.25 75.37 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.128 1.886 . . . . 0.0 113.078 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -74.64 -33.16 62.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.313 0.578 . . . . 0.0 109.634 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.4 mtm180 -59.76 -39.38 84.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.518 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 24.8 m -53.73 -38.48 64.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.392 0.433 . . . . 0.0 111.457 176.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.12 78.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.433 0.635 . . . . 0.0 109.989 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.627 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 92.5 t -62.1 -39.24 83.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.788 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 5.8 mm-40 -58.12 -40.72 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 109.827 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 45' ' ' THR . 86.2 mt -65.0 -45.99 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.059 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 19.9 p -77.7 -24.78 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.221 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.93 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 110.773 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -79.74 -15.58 57.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.023 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.71 -44.74 96.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.488 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -109.38 -13.47 14.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.198 0.523 . . . . 0.0 110.434 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.33 -20.11 11.73 Favored Glycine 0 CA--C 1.516 0.155 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.22 161.27 12.78 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.103 -0.549 . . . . 0.0 111.747 160.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 103' ' ' PRO . 73.2 mt -73.44 -3.79 29.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.509 0.324 . . . . 0.0 111.867 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 24.1 t70 -50.05 -36.17 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.7 p -88.49 15.22 8.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 32.4 t -116.07 74.61 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.306 0.574 . . . . 0.0 111.386 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HB2' ' OG ' ' A' ' 64' ' ' SER . 13.7 m-20 -121.42 137.32 54.76 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.86 109.19 2.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.16 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.65 3.02 28.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.882 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 61' ' ' ASP . 88.7 p -127.35 158.71 36.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 53.84 30.08 10.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.76 9.61 70.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.851 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 76.9 mt -77.29 131.03 73.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.18 169.95 2.56 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.899 2.399 . . . . 0.0 112.616 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -91.72 138.66 24.94 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.417 ' HB3' HG23 ' A' ' 81' ' ' VAL . 10.8 Cg_endo -54.45 123.76 14.41 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.413 2.075 . . . . 0.0 111.558 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 t -112.59 170.22 8.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.588 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 67.2 p -131.88 125.51 31.92 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.699 0.285 . . . . 0.0 110.251 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 p -78.96 178.08 8.28 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -53.42 -44.09 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.3 -5.42 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG13 HE22 ' A' ' 91' ' ' GLN . 58.5 t -95.13 119.73 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 m -78.56 -47.76 16.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.697 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.88 152.71 6.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.522 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 ptm -172.47 141.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.667 0.605 . . . . 0.0 110.433 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 m -131.14 138.68 49.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.103 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 70' ' ' PRO . 47.2 t -97.19 114.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.704 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -131.47 110.21 10.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.087 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 73.6 mmtt 49.85 46.75 23.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.167 -175.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.419 ' HA3' HD22 ' A' ' 57' ' ' LEU . . . 76.25 -24.91 1.65 Allowed Glycine 0 N--CA 1.465 0.59 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.064 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.503 HG22 HG23 ' A' ' 102' ' ' THR . 54.3 t -66.44 141.03 18.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 80' ' ' SER . 30.3 m -129.88 118.94 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.496 0.665 . . . . 0.0 109.609 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.4 m -101.37 123.77 45.98 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.82 148.79 35.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.302 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.2 m -131.61 128.19 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.42 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 55.48 46.65 80.21 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.052 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.607 HE22 HG13 ' A' ' 76' ' ' VAL . 6.3 tp-100 -70.27 125.81 27.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.4 0.143 . . . . 0.0 110.627 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 50.07 -122.42 1.83 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.414 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.458 ' HB2' ' HD3' ' A' ' 29' ' ' ARG . 6.9 m -74.76 -12.79 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.735 0.414 . . . . 0.0 111.689 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 75.8 mt -83.05 39.87 0.67 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.038 -171.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -56.02 136.26 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.3 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.16 -12.91 52.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.551 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 119' ' ' ASN . 8.4 tt -99.6 131.09 45.83 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -110.95 128.4 55.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.963 0.411 . . . . 0.0 109.962 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.38 128.81 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.574 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.34 102.93 14.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.591 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 43.6 tpp -93.94 111.89 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.198 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.503 HG23 HG22 ' A' ' 85' ' ' VAL . 87.3 m -112.96 99.23 47.97 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.437 ' HB2' HD11 ' A' ' 57' ' ' LEU . 31.7 Cg_exo -58.05 134.48 62.43 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.46 2.106 . . . . 0.0 111.298 174.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.943 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 -176.309 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 112.2 -0.36 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.488 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 26.8 m-90 -126.19 123.89 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.261 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.65 121.83 32.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.825 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.591 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 1.2 mpt_? -109.13 150.29 28.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.04 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -145.43 118.32 8.75 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 79.1 m -102.65 116.37 32.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 32.6 m-80 -110.59 103.16 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.028 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 120' ' ' ILE . 6.0 tp -137.0 96.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.381 0.61 . . . . 0.0 109.747 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -73.17 -36.37 66.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.2 m -99.44 15.48 26.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD2' ' HG ' ' A' ' 126' ' ' LEU . 18.0 t70 -161.8 99.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.366 -0.533 . . . . 0.0 111.669 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 15.6 m -61.79 -26.96 68.42 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.056 178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.77 80.85 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.534 ' HG ' ' OD2' ' A' ' 123' ' ' ASP . 85.0 mt -60.17 -36.48 77.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.273 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -67.59 -41.35 84.23 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 124' ' ' SER . 17.4 mm100 -53.91 -43.41 69.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.672 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -47.57 34.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.258 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.91 -50.19 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -62.55 -26.25 68.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.462 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.0 -50.85 37.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.589 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.01 -43.05 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.598 0.713 . . . . 0.0 110.829 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 96.7 m-85 -86.63 25.05 1.31 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.398 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.428 -173.57 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.002 0.429 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -61.2 -34.65 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.687 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.01 -44.97 78.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.335 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.5 ttp180 -65.04 -36.44 84.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.268 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 129' ' ' ALA . 33.2 mmtp -58.14 -50.45 73.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 176.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.63 78.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.0 90.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.301 0.572 . . . . 0.0 110.128 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 64.1 mt -66.68 -34.17 77.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.851 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 82.5 m -61.94 -45.03 95.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.456 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -40.52 97.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.4 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.498 ' SD ' ' HB2' ' A' ' 75' ' ' TYR . 31.5 mmt -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.12 -43.3 98.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.24 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.3 mm-40 -65.87 -31.83 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.618 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 32.2 m -75.61 -27.83 58.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.045 0.45 . . . . 0.0 110.607 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 27.7 t80 -70.48 -34.02 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 176.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.578 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.9 t -47.32 -51.72 40.77 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.7 Cg_exo -56.55 -31.33 86.16 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.076 1.851 . . . . 0.0 112.744 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -74.27 -31.6 62.6 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.333 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 44.3 mtm180 -60.88 -35.68 77.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.253 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.462 ' O ' HD23 ' A' ' 49' ' ' LEU . 6.0 m -51.54 -46.1 63.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.16 171.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.19 75.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.582 0.706 . . . . 0.0 110.132 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.62 -46.77 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.074 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.74 -37.32 86.07 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.49 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -58.04 -43.46 86.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 109.773 176.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.6 -59.83 3.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.809 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.65 -37.18 67.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.82 -49.64 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.93 -40.59 60.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 111.006 -175.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -89.25 -6.67 56.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.63 27.33 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.473 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.32 140.74 10.83 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 119.666 -1.254 . . . . 0.0 111.549 -173.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.18 -32.68 50.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 117.808 0.804 . . . . 0.0 108.837 163.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.452 ' HA ' ' CD ' ' A' ' 83' ' ' LYS . 4.9 m-20 -59.47 -29.26 67.69 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.647 -1.161 . . . . 0.0 112.017 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.0 p -81.75 -11.12 59.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.107 0.479 . . . . 0.0 111.324 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.75 62.71 5.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.325 0.584 . . . . 0.0 110.908 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -99.02 139.75 34.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.34 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.09 94.43 0.9 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.637 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.99 -0.1 7.7 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.239 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 m -136.04 168.56 19.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 55.05 34.4 22.42 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.25 52.98 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.929 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 57.6 mt -78.42 122.25 84.8 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.7 Cg_exo -68.93 143.56 55.35 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.031 1.821 . . . . 0.0 112.04 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -46.12 128.41 7.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.819 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.97 125.82 20.22 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.231 2.621 . . . . 0.0 112.553 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -95.97 168.18 10.79 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.787 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 29.8 p -126.6 126.29 43.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.023 0.44 . . . . 0.0 110.602 -178.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.3 p -73.42 177.85 4.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.268 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -55.48 -37.18 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.498 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 23.9 m-85 -92.05 -25.59 18.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' A' ' 72' ' ' THR . 91.7 t -83.26 118.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.066 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.3 m -82.61 -37.68 24.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.53 147.82 14.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.835 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.7 ptp -160.61 140.15 10.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.735 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.4 t -136.39 143.88 44.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.017 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.501 HG22 HG12 ' A' ' 86' ' ' VAL . 21.7 t -110.61 120.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.858 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.24 111.68 9.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.073 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 58' ' ' ASP . 70.9 mmtt 56.59 39.93 29.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.63 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.18 -23.69 3.18 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.308 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.442 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 39.2 t -69.12 136.75 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG12 HG22 ' A' ' 81' ' ' VAL . 29.1 m -126.62 119.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 O-C-N 121.622 -0.674 . . . . 0.0 110.507 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 48.8 p -104.5 123.09 46.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.991 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.59 136.22 51.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -116.84 134.05 55.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.283 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.36 47.35 43.61 Favored Glycine 0 C--N 1.333 0.414 0 O-C-N 124.148 0.905 . . . . 0.0 113.756 176.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.6 124.95 26.92 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.76 -140.99 0.86 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.502 0.321 . . . . 0.0 110.245 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.8 m -63.88 -11.87 31.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.463 HD23 HD22 ' A' ' 126' ' ' LEU . 50.8 mt -78.07 39.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.955 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.47 133.13 40.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.851 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.83 -21.9 20.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.683 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.9 tt -82.03 136.35 35.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.0 m -112.51 125.23 54.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.206 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 87' ' ' SER . 35.0 t -101.37 127.58 54.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -124.0 105.7 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.025 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.513 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 48.5 ttm -100.66 118.27 36.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.76 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -111.84 103.5 55.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.906 -174.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.507 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 59.5 Cg_endo -72.94 131.19 16.56 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.424 2.082 . . . . 0.0 111.323 171.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.909 179.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.447 -0.613 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 26.5 m-90 -100.02 128.3 46.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.698 0.285 . . . . 0.0 111.219 -177.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -97.16 147.61 23.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -122.05 136.19 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.932 0.396 . . . . 0.0 112.03 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -145.24 132.87 20.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.97 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 71.0 m -116.8 118.0 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.137 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -112.28 105.57 13.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.366 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.485 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 7.1 tp -136.91 104.71 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.576 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -75.76 -39.69 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -170.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.3 m -105.72 10.11 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.485 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 10.6 m-20 -143.28 87.84 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.176 -0.327 . . . . 0.0 111.114 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 13.9 p -61.17 -35.55 77.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.52 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.926 0.394 . . . . 0.0 111.339 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 94' ' ' LEU . 79.6 mt -68.91 -34.06 74.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.953 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 53.2 tt0 -62.43 -46.28 89.25 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 124' ' ' SER . 16.0 mm100 -52.64 -42.75 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.684 0.615 . . . . 0.0 111.127 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.405 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -72.33 -45.15 61.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.167 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 29.2 t -68.43 -48.47 64.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.798 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 5.4 pt-20 -61.97 -22.19 65.44 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.273 -177.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.48 -53.03 32.25 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.964 -0.46 . . . . 0.0 110.333 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.2 t -84.44 -44.61 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.462 0.649 . . . . 0.0 111.743 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.493 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.4 m-85 -95.77 26.5 4.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.859 -175.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 . . . . . 0 N--CA 1.464 0.273 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.86 -169.172 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 86.5 m-20 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.0 0.429 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.12 -33.43 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.037 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 28' ' ' LEU . 4.4 mm? -73.67 -33.03 64.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.8 ttm180 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.716 171.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 43.0 mmtm -60.72 -50.4 73.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.0 80.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.103 0.478 . . . . 0.0 110.109 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.7 mt -62.94 -38.55 91.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.044 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 m -64.79 -37.93 89.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.197 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.37 -38.93 91.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.239 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.68 -41.02 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.001 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.5 tp -62.24 -40.59 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.294 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 34' ' ' THR . 85.5 mm-40 -63.67 -24.68 67.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.006 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.57 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 20.8 m -75.32 -35.41 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.277 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -70.71 -34.18 71.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.78 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.5 t -47.16 -52.94 31.31 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.57 ' HD2' ' O ' ' A' ' 39' ' ' THR . 36.4 Cg_exo -61.88 -31.13 84.79 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.748 1.632 . . . . 0.0 112.519 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 m-85 -71.37 -25.78 62.52 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.194 -0.202 . . . . 0.0 111.22 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 49.0 mtm180 -55.69 -47.19 77.21 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' HD23 ' A' ' 49' ' ' LEU . 45.5 m -52.64 -47.39 67.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.406 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.99 88.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 110.051 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 43' ' ' TYR . 71.5 t -63.65 -45.6 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.838 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 41.6 mt-10 -64.99 -43.29 93.06 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.788 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 45' ' ' THR . 4.5 mm? -66.67 -41.66 87.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.78 -31.87 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.986 0.422 . . . . 0.0 110.196 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.53 68.22 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.464 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.2 tp -81.32 -19.49 42.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.05 -45.76 66.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -175.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -107.96 -11.94 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.37 -20.28 7.41 Favored Glycine 0 N--CA 1.458 0.126 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.382 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.41 149.26 18.38 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 163.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 mt -72.99 -2.4 20.91 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.921 0.489 . . . . 0.0 111.662 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 3.0 m-20 -48.88 -32.06 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 p -92.62 0.1 57.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.086 0.469 . . . . 0.0 111.906 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.39 73.29 2.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.304 0.573 . . . . 0.0 110.662 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.86 156.86 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.19 106.89 1.86 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.685 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.14 8.88 19.22 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.188 -0.53 . . . . 0.0 111.896 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -140.16 154.81 47.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.57 34.81 20.19 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.142 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.63 2.07 84.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.345 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.4 mt -90.47 125.49 59.55 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -57.85 159.17 18.39 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.79 2.327 . . . . 0.0 112.742 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 p -79.06 141.7 58.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.13 123.18 13.21 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.324 2.016 . . . . 0.0 112.017 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -138.14 172.25 13.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.663 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -124.65 126.14 45.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.97 0.414 . . . . 0.0 110.823 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 p -79.41 176.5 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 74' ' ' ARG . 39.3 ttp-105 -54.91 -38.77 68.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.54 ' HB3' ' HG2' ' A' ' 92' ' ' GLU . 20.0 m-85 -91.78 -7.45 49.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.0 t -94.31 128.12 45.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 O-C-N 121.974 -0.454 . . . . 0.0 110.443 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -87.78 -39.7 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.078 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.1 146.02 15.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.591 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.496 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.7 ptm -168.07 139.97 2.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.568 0.543 . . . . 0.0 110.0 175.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 35.5 p -136.29 150.19 48.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.705 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.49 116.22 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.24 111.23 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 65.3 mmtt 54.38 42.84 31.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.945 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.46 -24.28 3.16 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 113.349 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.43 HG22 HG23 ' A' ' 102' ' ' THR . 26.8 t -71.44 142.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 26.8 m -132.62 117.64 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 0.0 110.518 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 79' ' ' MET . 49.6 m -104.47 125.4 50.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.899 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.79 144.88 42.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.473 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.8 m -132.42 143.27 49.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.494 0.188 . . . . 0.0 110.592 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.73 46.36 47.87 Favored Glycine 0 C--N 1.332 0.349 0 O-C-N 123.945 0.778 . . . . 0.0 113.155 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 125.07 35.01 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HG2' ' HB3' ' A' ' 75' ' ' TYR . 17.0 mt-10 51.92 -128.98 2.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.238 0.542 . . . . 0.0 112.02 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -71.96 -14.0 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.581 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.3 mt -81.68 39.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.488 0.661 . . . . 0.0 110.098 -175.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.21 129.71 39.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.326 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.56 -17.0 46.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.929 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.0 tt -89.91 139.03 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.018 0.437 . . . . 0.0 110.792 -175.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 t -113.83 119.69 38.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.78 128.63 68.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.976 0.417 . . . . 0.0 109.897 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.84 113.44 43.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.484 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 49.0 tpp -94.65 110.65 22.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 6.2 m -113.5 93.44 27.4 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.986 -176.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 101' ' ' MET . 24.2 Cg_exo -63.4 131.35 31.59 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.532 2.155 . . . . 0.0 111.714 174.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.681 178.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.716 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.7 m-90 -127.85 123.16 34.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -92.91 113.72 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.512 . . . . 0.0 109.67 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.405 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 73.1 mtt180 -109.5 135.04 51.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.816 -174.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.23 133.29 42.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.4 m -112.3 116.93 31.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -114.35 102.77 10.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.173 0.511 . . . . 0.0 110.454 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.45 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.2 tp -137.53 102.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.491 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.442 ' CD ' ' H ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -169.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.4 p -93.39 -15.43 25.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.45 ' H ' HG13 ' A' ' 120' ' ' ILE . 12.7 m-20 -139.07 81.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -169.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.4 m -60.7 -22.99 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.77 -35.63 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 111.101 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.965 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.636 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 33.9 tt0 -66.93 -41.25 87.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 175.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -57.6 -36.44 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.513 174.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.3 28.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.387 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 31.5 p -69.11 -44.46 72.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.916 -175.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.46 -22.9 66.58 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.96 -51.04 69.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.918 0.39 . . . . 0.0 110.141 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.71 -47.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.58 0.705 . . . . 0.0 111.266 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -84.79 25.48 0.92 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.991 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.821 -174.367 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -62.52 -31.56 72.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 110.682 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -79.56 -39.29 32.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.519 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 30.0 ttm180 -59.31 -43.58 92.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.74 172.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -62.11 -47.01 86.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.154 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.11 -38.22 79.04 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.912 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.57 98.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.295 0.569 . . . . 0.0 110.096 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.7 mt -68.67 -38.33 80.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.292 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -66.21 -38.92 89.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.68 -39.08 84.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.691 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 tpt -63.69 -42.04 98.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.073 175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.9 tp -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.269 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.35 -23.73 65.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.419 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 28.1 m -76.46 -35.31 58.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.375 0.607 . . . . 0.0 110.244 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -70.69 -35.84 72.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.7 t -51.82 -50.47 77.68 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.538 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 53.1 Cg_exo -52.3 -42.28 61.29 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.896 1.73 . . . . 0.0 112.615 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.501 ' O ' HG23 ' A' ' 47' ' ' VAL . 86.2 m-85 -68.83 -33.34 73.67 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.757 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 2.8 mmp_? -54.77 -53.64 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.276 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' HD23 ' A' ' 49' ' ' LEU . 21.2 m -52.13 -42.92 63.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.925 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.451 0.643 . . . . 0.0 110.693 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 43' ' ' TYR . 98.0 t -69.9 -40.57 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.317 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 4.0 mm-40 -68.34 -39.84 81.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.059 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -61.84 -38.7 89.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.237 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 59' ' ' THR . 2.7 t -62.36 -52.19 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.198 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.231 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 83.2 mt -73.34 -21.99 60.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.26 -36.53 66.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 111.042 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -108.96 -12.63 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 110.479 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.53 -20.06 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.066 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.02 154.43 16.61 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.581 162.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.25 -2.64 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 123.245 0.618 . . . . 0.0 111.848 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.95 -39.64 27.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.771 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.567 HG23 ' SG ' ' A' ' 50' ' ' CYS . 14.9 t -76.79 -5.43 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 111.526 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -97.51 60.16 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.0 110.519 -176.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.486 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 9.8 t70 -109.57 133.97 52.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.282 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.33 108.37 2.46 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.951 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.64 2.64 24.1 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.314 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.0 m -143.44 162.77 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.7 0.25 . . . . 0.0 110.921 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 62.45 34.2 15.61 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.02 -3.43 84.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.638 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 55.5 mt -92.44 123.51 61.96 Favored Pre-proline 0 N--CA 1.447 -0.617 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 19.9 Cg_exo -65.29 146.99 87.35 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.725 2.284 . . . . 0.0 112.301 -177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -48.67 136.54 13.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.315 172.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.33 125.47 15.26 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.533 2.822 . . . . 0.0 112.993 -172.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -118.33 -177.67 3.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.676 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.43 HG22 HG12 ' A' ' 76' ' ' VAL . 18.4 p -135.97 143.27 44.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.855 0.36 . . . . 0.0 110.551 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.465 ' OG1' HG23 ' A' ' 76' ' ' VAL . 30.3 p -85.2 176.95 8.05 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -55.03 -40.27 70.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -92.3 -12.97 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG23 ' OG1' ' A' ' 73' ' ' THR . 79.0 t -82.48 127.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.378 0.609 . . . . 0.0 110.636 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -81.34 -46.57 14.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.755 -175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -171.88 142.63 1.52 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.385 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.493 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.9 ptm -160.92 140.37 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.148 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.552 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.5 m -124.59 151.31 44.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 t -125.89 119.31 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -139.08 109.58 6.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.177 0.513 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 52.05 43.8 30.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.368 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.37 -24.05 6.71 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.54 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.45 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 38.2 t -73.18 134.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.552 ' HA ' ' O ' ' A' ' 80' ' ' SER . 27.7 m -132.83 121.02 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.516 0.674 . . . . 0.0 111.177 -174.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' A' ' 79' ' ' MET . 24.9 m -104.17 125.37 50.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.786 176.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.04 137.95 50.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 11.4 m -119.81 132.49 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.27 46.25 28.06 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 114.952 -1.022 . . . . 0.0 114.052 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.51 HE21 ' HG2' ' A' ' 92' ' ' GLU . 28.8 tp60 -82.95 124.69 30.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.001 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.51 ' HG2' HE21 ' A' ' 91' ' ' GLN . 5.8 mm-40 55.04 -123.31 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.883 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -72.42 -14.51 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.84 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 97' ' ' LEU . 54.4 mt -87.2 37.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.342 0.591 . . . . 0.0 110.122 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.55 134.23 56.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.995 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.6 -17.85 32.83 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.467 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.431 HD13 HD22 ' A' ' 94' ' ' LEU . 8.9 tt -94.27 136.62 34.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.793 0.33 . . . . 0.0 110.215 -176.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -113.02 124.3 52.29 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -100.98 127.43 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.8 t -118.43 102.89 13.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.419 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.6 tpp -92.34 112.45 24.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.628 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 5.4 m -111.23 90.9 12.43 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.538 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 62.1 Cg_endo -77.56 132.96 12.56 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.462 2.108 . . . . 0.0 112.219 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.805 0 CA-C-N 115.633 -0.712 . . . . 0.0 113.148 175.287 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.42 ' HE1' ' NH1' ' A' ' 44' ' ' ARG . 28.9 m-90 -134.72 128.92 33.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -97.32 121.36 39.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.3 mpt_? -108.76 131.42 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.83 0.348 . . . . 0.0 110.756 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -136.1 127.98 29.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.5 m -111.91 116.26 30.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.839 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -108.67 102.89 11.91 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.34 176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 120' ' ' ILE . 5.7 tp -136.15 100.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.278 173.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.88 -38.62 64.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.11 -169.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 m -90.76 -12.92 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.1 86.81 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 127' ' ' GLN . 9.5 t -60.83 -22.08 63.84 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.198 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.55 83.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.349 . . . . 0.0 111.446 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.51 -31.0 67.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.064 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 49.5 tt0 -61.83 -45.13 95.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.953 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.74 -31.52 72.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.41 -48.59 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.394 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 26.2 p -69.05 -44.3 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.975 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 8.7 pt-20 -62.51 -23.65 67.07 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.483 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -70.66 -47.86 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.222 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 135' ' ' ARG . 93.1 t -82.89 -48.54 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.27 0.557 . . . . 0.0 111.193 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.431 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 94.9 m-85 -80.29 23.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.118 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 28.8 ptt180 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.634 -166.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 40.5 m-80 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 111.305 0.113 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -64.35 -38.98 92.96 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.18 -32.85 63.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 35.1 ttm180 -64.62 -41.3 96.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.177 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 7.7 mtmp? -65.88 -40.79 91.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 177.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.93 76.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.738 0.304 . . . . 0.0 111.299 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.49 86.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.378 0.609 . . . . 0.0 109.571 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 88.1 mt -66.28 -33.91 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.324 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 70.1 m -64.65 -41.74 95.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.282 176.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -69.01 -39.12 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.771 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.0 tpt -61.0 -43.73 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.187 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 tm? -61.89 -48.76 79.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.78 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.2 mm100 -66.03 -29.98 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.514 -177.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.577 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 59.1 m -75.93 -32.29 59.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.248 0.547 . . . . 0.0 110.682 175.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 9.5 t80 -70.54 -33.87 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.183 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.9 t -52.31 -50.92 76.84 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.577 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.7 Cg_exo -55.42 -26.22 52.39 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.253 1.969 . . . . 0.0 112.941 174.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 27.9 m-85 -74.84 -42.06 58.69 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.651 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 12.7 mmm180 -61.47 -37.94 85.44 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' HD23 ' A' ' 49' ' ' LEU . 17.5 m -52.27 -44.03 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.678 0.275 . . . . 0.0 111.178 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.94 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 110.151 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.97 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.08 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 58.0 mm-40 -68.97 -39.98 79.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.181 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -64.84 -43.25 93.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.84 -38.04 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.594 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . . . -69.83 -45.81 67.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.359 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.07 -17.35 64.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.1 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.47 -40.76 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -108.82 -12.65 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.312 0.577 . . . . 0.0 109.995 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.08 -19.41 30.72 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.07 152.31 17.33 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.862 164.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HG ' ' CB ' ' A' ' 51' ' ' ALA . 3.2 mp -73.11 -1.92 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.765 0.426 . . . . 0.0 111.98 -177.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 18.6 t70 -48.98 -32.94 10.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.647 0.379 . . . . 0.0 112.02 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -83.19 -0.43 49.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.191 0.519 . . . . 0.0 111.011 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HA ' HD12 ' A' ' 67' ' ' ILE . 34.8 m -107.54 63.28 0.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.501 0.667 . . . . 0.0 109.779 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.621 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 27.9 t70 -118.94 135.2 54.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.41 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.35 95.2 0.43 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.83 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.12 1.17 6.32 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.764 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 61' ' ' ASP . 59.4 p -145.91 161.48 39.94 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.977 0.388 . . . . 0.0 111.342 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 56.0 44.96 24.66 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.237 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.34 -19.27 28.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.872 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 60' ' ' CYS . 42.8 mt -87.32 127.7 57.94 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.05 164.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.201 1.934 . . . . 0.0 112.727 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.6 m -44.28 136.17 4.1 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.873 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -49.96 129.93 26.07 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.489 2.793 . . . . 0.0 112.956 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.4 p -113.54 176.15 5.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.589 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.8 p -131.74 129.96 41.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.103 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.7 p -73.97 177.16 5.82 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -53.82 -42.9 68.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -167.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -103.37 5.14 37.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 54.6 t -87.22 128.52 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.239 176.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 m -81.19 -42.36 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.633 -173.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.83 145.06 1.86 Allowed 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.471 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.4 ptm -169.32 146.87 3.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.86 0.362 . . . . 0.0 111.04 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -135.2 147.52 49.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.612 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.9 t -121.61 118.68 56.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.621 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -131.3 110.24 10.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.129 0.49 . . . . 0.0 110.778 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.2 mmtp 50.0 46.35 24.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.853 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.41 -24.7 5.43 Favored Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.212 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 61.6 t -64.46 138.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.6 t -134.62 112.72 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.078 0.466 . . . . 0.0 110.381 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 31.6 t -102.23 121.4 42.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.865 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.3 mm? -100.77 134.62 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.2 m -123.19 127.54 48.78 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.911 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 48.14 45.91 27.19 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.857 -1.065 . . . . 0.0 114.1 174.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.506 HE21 ' HG3' ' A' ' 92' ' ' GLU . 28.0 tp60 -72.97 122.7 22.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.211 0.506 . . . . 0.0 110.291 -177.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG3' HE21 ' A' ' 91' ' ' GLN . 48.4 mt-10 46.86 -116.48 0.69 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.782 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m -74.35 -14.43 60.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.817 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 53.3 mt -81.93 38.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.558 -174.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.5 132.47 51.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.917 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.25 -10.4 49.26 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.484 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.446 HD13 HD22 ' A' ' 94' ' ' LEU . 8.7 tt -93.21 133.63 36.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.061 0.458 . . . . 0.0 110.126 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -112.88 129.44 56.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.5 t -106.51 125.13 62.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.06 103.39 15.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 50.3 ttm -88.79 110.61 21.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.043 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.447 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 10.7 m -106.96 96.67 15.39 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.257 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 102' ' ' THR . 34.4 Cg_endo -66.23 139.59 55.73 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 112.543 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.964 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 176.849 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.659 0 N-CA-C 112.365 -0.294 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -117.31 124.25 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.517 0.199 . . . . 0.0 110.606 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.78 113.57 25.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -108.46 120.35 42.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.727 -176.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 17.5 m120 -112.2 125.65 54.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.244 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.0 m -102.57 115.61 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -115.53 105.04 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.0 111.133 -177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.2 tp -135.77 103.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.452 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -74.78 -39.78 61.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -167.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -98.3 2.69 48.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.484 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 6.7 m-20 -142.5 83.81 1.83 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.843 0.354 . . . . 0.0 110.558 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 17.8 t -60.49 -30.98 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.368 -177.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.09 94.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.914 0.387 . . . . 0.0 111.354 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.12 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.102 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -68.06 -43.7 78.05 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.777 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 124' ' ' SER . 97.6 mt-30 -56.64 -40.34 75.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -45.27 49.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.362 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.19 -49.58 55.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.925 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.8 tt0 -63.0 -25.74 68.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.356 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.72 -51.14 69.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.544 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 63.8 t -84.14 -49.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.328 0.585 . . . . 0.0 111.678 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 87.0 m-85 -86.11 21.87 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.123 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 14.0 ptm180 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.386 0.613 . . . . 0.0 112.44 -173.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.0 m120 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -70.32 -37.75 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.218 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.37 -38.95 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.884 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.543 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 37.4 ttp180 -62.64 -40.9 98.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.099 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -59.78 -50.89 72.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.506 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.75 93.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.88 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 110.284 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 86.9 mt -68.48 -35.88 78.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.371 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 57.4 m -63.97 -38.55 91.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.953 176.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.2 -40.54 86.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.073 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.7 tpp -61.3 -43.32 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.881 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.55 -40.77 96.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.415 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 28.3 mm-40 -66.24 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.262 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.552 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.8 m -75.7 -29.41 58.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.377 0.608 . . . . 0.0 110.244 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.78 -34.62 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.388 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 78.8 t -50.75 -51.51 65.4 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.1 Cg_exo -55.29 -39.61 90.07 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.904 1.736 . . . . 0.0 112.558 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.495 ' O ' HG23 ' A' ' 47' ' ' VAL . 75.2 m-85 -72.26 -24.16 61.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.249 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.528 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 33.1 mtp-105 -55.35 -44.98 76.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.463 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 m -52.68 -47.13 67.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.12 86.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.251 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 43' ' ' TYR . 78.7 t -62.03 -48.36 88.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.47 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.6 mt-10 -60.29 -44.84 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -60.99 -43.26 99.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.072 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.6 t -72.27 -32.36 66.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.041 0.448 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB2' HD21 ' A' ' 57' ' ' LEU . . . -69.78 -41.91 74.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.695 -176.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -76.8 -19.99 56.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.46 -46.75 68.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -109.29 -11.7 14.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 -19.63 9.46 Favored Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.945 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.88 145.77 18.75 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.015 -1.088 . . . . 0.0 113.116 164.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 51' ' ' ALA . 43.7 mt -73.32 -2.04 20.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.059 0.544 . . . . 0.0 111.517 177.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 29.2 t70 -47.71 -33.88 7.54 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.3 p -90.66 -1.38 57.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.105 0.479 . . . . 0.0 111.983 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.401 ' SG ' HD23 ' A' ' 57' ' ' LEU . 34.8 m -93.04 72.32 4.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.406 -173.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.84 147.46 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.95 111.99 4.54 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.189 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.46 -4.1 19.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.549 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 p -129.8 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.717 0.258 . . . . 0.0 111.094 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 56.13 28.85 13.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.166 0.586 . . . . 0.0 112.454 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.64 -6.7 76.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.543 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.2 mt -76.4 130.15 77.98 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 46.1 Cg_exo -57.13 155.88 27.09 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.753 2.302 . . . . 0.0 112.854 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.4 t -88.18 138.69 30.54 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.72 124.88 14.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.197 2.598 . . . . 0.0 112.729 -173.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -144.65 179.76 7.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.12 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 54.4 p -130.71 126.67 37.06 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.968 0.413 . . . . 0.0 110.435 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.414 ' OG1' HG23 ' A' ' 76' ' ' VAL . 49.5 p -72.35 178.53 3.9 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -54.0 -42.73 69.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.343 -0.143 . . . . 0.0 111.098 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -89.98 -17.96 26.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.514 ' O ' ' HB ' ' A' ' 72' ' ' THR . 54.1 t -81.02 129.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.241 0.543 . . . . 0.0 110.531 -176.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -86.04 -42.71 13.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.544 -176.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.27 147.14 3.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.207 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.7 ptp -165.84 140.81 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.642 0.589 . . . . 0.0 110.222 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 23.7 m -129.15 145.4 51.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.595 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -118.44 112.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.13 110.97 11.55 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.05 0.453 . . . . 0.0 110.515 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 66.6 mttm 48.05 46.4 19.3 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.109 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.51 -24.89 5.36 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.854 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.3 t -68.04 142.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 80' ' ' SER . 23.2 m -137.2 113.6 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.632 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -104.65 129.0 52.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.462 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.7 141.94 50.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.867 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.1 m -132.33 150.93 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.941 0.4 . . . . 0.0 111.481 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.12 41.85 54.07 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.576 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 24.4 tp60 -83.13 125.71 31.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -174.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HG2' HE21 ' A' ' 91' ' ' GLN . 6.0 mm-40 57.31 -139.8 0.86 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.641 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -64.51 -13.31 51.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.893 0.378 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.2 mt -81.33 38.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.003 0.43 . . . . 0.0 111.041 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.439 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 28.6 t-20 -54.36 134.38 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.738 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.28 -23.46 15.09 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.844 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -85.64 138.13 32.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.741 0.305 . . . . 0.0 110.286 -176.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -118.75 135.6 54.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.051 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.24 128.26 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.79 108.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.925 0.393 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.4 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.0 tpp -97.59 110.58 23.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.75 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.571 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 4.4 m -111.04 90.45 11.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.971 0.415 . . . . 0.0 110.338 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.24 133.33 19.23 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.631 2.221 . . . . 0.0 113.075 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.902 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 172.607 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 CA-C-O 121.005 0.225 . . . . 0.0 113.036 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -119.96 132.09 55.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -92.95 113.03 25.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -108.91 133.69 52.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.804 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -140.26 118.74 12.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.783 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.4 m -104.34 115.08 29.75 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -114.89 104.92 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -175.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.418 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.5 tp -136.84 103.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.965 172.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -74.07 -38.88 63.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -169.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.9 p -88.63 -19.57 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -171.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.418 ' H ' HG13 ' A' ' 120' ' ' ILE . 6.8 m-20 -134.8 82.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.553 -169.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -60.17 -22.96 63.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.108 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.49 95.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.872 0.368 . . . . 0.0 111.014 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.26 -34.12 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 9.6 tt0 -62.93 -40.8 98.74 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.945 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -53.53 -37.85 63.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.596 0.56 . . . . 0.0 111.589 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.12 -45.64 47.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.7 t -69.22 -49.3 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 11.4 pt-20 -62.23 -25.1 67.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.32 -51.91 21.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.496 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.2 t -82.88 -49.02 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.287 0.565 . . . . 0.0 111.387 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -84.74 24.49 1.03 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 6.9 ptm180 . . . . . 0 CA--C 1.518 -0.283 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.647 -170.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 87.3 m-20 . . . . . 0 C--O 1.224 -0.251 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.19 -44.96 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.194 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.12 -32.46 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.909 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HD2' ' HB3' ' A' ' 92' ' ' GLU . 25.2 tpp180 -66.19 -35.78 81.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.835 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 32.6 mmtp -65.45 -45.75 82.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.313 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.16 65.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.32 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' HB2' HG21 ' A' ' 133' ' ' VAL . 96.2 mt -66.08 -38.73 89.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 m -63.68 -40.73 97.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.211 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.13 -39.45 92.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.417 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 tpt -61.85 -46.43 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.255 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 20.7 tp -59.44 -44.13 92.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.198 0.523 . . . . 0.0 110.53 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 77.0 mm-40 -67.67 -24.2 65.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.471 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.579 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 48.1 m -76.42 -27.33 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 110.574 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 32.4 t80 -65.91 -34.99 79.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.618 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 62.4 t -57.16 -50.73 86.5 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.582 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 32.8 Cg_exo -61.63 -28.77 83.06 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.762 1.642 . . . . 0.0 112.635 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -72.05 -24.96 61.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.033 0.444 . . . . 0.0 110.007 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.618 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 23.3 mmm180 -55.49 -42.89 75.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.567 175.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.1 m -51.11 -47.14 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.282 0.364 . . . . 0.0 111.527 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.79 97.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.37 0.605 . . . . 0.0 110.512 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.25 -44.89 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.475 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 39.3 mt-10 -70.0 -34.49 73.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -64.03 -43.51 95.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.281 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 p -74.53 -37.27 63.11 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.266 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' HD23 ' A' ' 57' ' ' LEU . . . -54.31 -37.15 64.48 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.528 173.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.3 mt -78.21 -23.24 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.922 0.391 . . . . 0.0 111.145 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.2 -41.23 70.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.89 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -107.42 -12.44 15.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.147 0.499 . . . . 0.0 110.664 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.75 -20.54 6.27 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.665 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.67 164.97 13.41 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.945 163.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD23 ' HB2' ' A' ' 51' ' ' ALA . 56.8 mt -73.49 -1.37 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.332 0.653 . . . . 0.0 111.891 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 1.9 m-20 -48.08 -38.79 18.37 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.5 0.72 . . . . 0.0 112.261 -174.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -87.46 -6.45 58.4 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -89.99 69.45 7.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.126 0.489 . . . . 0.0 111.905 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -104.9 154.24 20.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.378 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.56 98.41 0.75 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.044 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.18 4.6 5.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.137 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -148.54 162.22 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.582 -0.363 . . . . 0.0 110.963 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 57.94 47.0 15.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.75 -9.08 46.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.901 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.3 mt -93.85 120.38 65.98 Favored Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.51 150.77 52.19 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.348 2.032 . . . . 0.0 111.881 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.8 m -48.92 134.77 14.41 Favored Pre-proline 0 C--O 1.237 0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.182 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -46.18 123.63 6.68 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.131 2.554 . . . . 0.0 112.103 -171.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -113.02 130.18 56.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.275 -169.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -103.02 125.32 49.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.373 0.606 . . . . 0.0 110.516 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.468 ' H ' ' HB ' ' A' ' 76' ' ' VAL . 43.3 p -80.25 179.11 7.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.567 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 74' ' ' ARG . 34.5 ttt180 -53.97 -36.73 63.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.665 0.269 . . . . 0.0 110.896 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -94.63 -25.02 16.94 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.588 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 73.9 t -80.45 124.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.551 0.691 . . . . 0.0 110.487 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -82.77 -46.01 13.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.826 -173.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.96 147.38 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptp -156.34 147.84 22.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 t -140.5 134.67 31.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.65 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 86' ' ' VAL . 23.1 t -114.1 121.42 66.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.16 110.6 7.47 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.163 0.506 . . . . 0.0 110.118 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.449 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 69.2 mmtt 53.35 46.88 25.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.384 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.96 -23.4 5.94 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.009 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 102' ' ' THR . 46.9 t -71.65 139.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 81' ' ' VAL . 36.0 m -129.45 117.46 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.714 0.769 . . . . 0.0 110.262 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 14.4 m -103.56 128.74 50.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.242 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.0 mm? -109.09 144.19 37.45 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.8 m -136.52 137.85 40.72 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.334 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.3 46.39 35.36 Favored Glycine 0 C--N 1.335 0.495 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.424 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.588 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 28.8 tp60 -93.3 125.43 37.9 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 122.771 -0.252 . . . . 0.0 110.48 -175.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 29' ' ' ARG . 26.8 mm-40 55.76 -133.49 1.54 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.327 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 27.4 t -67.54 -14.23 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.865 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 35.4 mt -83.18 39.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.373 0.606 . . . . 0.0 110.304 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -61.72 127.1 29.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.377 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.66 -13.85 59.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.345 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 7.4 tt -90.84 130.29 36.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.926 0.393 . . . . 0.0 109.983 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.6 m -108.56 122.65 47.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.335 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.6 t -100.58 127.28 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.8 t -113.26 102.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 54.0 tpp -90.06 110.27 21.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 37.2 m -111.33 95.17 24.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 36.3 Cg_endo -68.13 142.29 55.42 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.115 1.877 . . . . 0.0 110.885 173.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.898 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.641 -177.221 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.651 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 29.1 m-90 -135.19 123.55 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.542 0.211 . . . . 0.0 110.478 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -89.78 130.98 35.96 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.4 mpt_? -108.38 133.16 52.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -144.26 128.64 17.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.957 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.97 124.93 43.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.272 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 40.1 m-80 -111.71 102.01 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.442 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 120' ' ' ILE . 6.1 tp -138.14 95.15 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.184 172.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -73.44 -15.54 61.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -167.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.5 p -102.23 -23.47 14.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.55 94.99 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 111.764 -168.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.3 m -60.84 -25.09 66.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.313 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.08 -31.72 71.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.689 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.07 -37.0 86.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.004 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -67.34 -35.22 78.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.37 70.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.524 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 31.7 p -68.62 -39.26 80.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.43 -26.55 68.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.018 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -68.97 -45.24 71.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.943 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 33' ' ' LEU . 98.9 t -83.16 -46.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 0.0 111.146 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.499 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 97.9 m-85 -84.05 20.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.49 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.441 -177.855 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 16.8 m-80 . . . . . 0 CA--C 1.516 -0.331 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -69.13 -41.48 77.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.648 -171.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.44 -44.79 70.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 110.279 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.576 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 15.0 ttp180 -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.291 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 26' ' ' ASN . 82.8 tttt -66.03 -42.83 89.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.09 73.0 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 122.216 -0.302 . . . . 0.0 111.093 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.52 98.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 109.664 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.5 mt -63.6 -33.35 75.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.517 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 66.8 m -68.23 -38.72 82.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.47 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.65 -40.72 80.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 109.864 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.8 tpp -61.13 -41.4 96.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.538 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 tp -59.83 -41.03 90.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.713 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.4 mm-40 -64.66 -34.49 78.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.972 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.556 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 45.5 m -75.27 -30.65 60.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 110.395 175.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -71.29 -34.79 70.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.59 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 55.5 t -48.65 -51.55 52.05 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.0 Cg_exo -54.63 -24.78 38.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.302 2.002 . . . . 0.0 113.305 176.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -75.51 -37.06 60.39 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.434 0.635 . . . . 0.0 109.316 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 97.1 mtt180 -56.9 -43.25 81.17 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.441 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.6 m -51.6 -38.33 54.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.583 0.552 . . . . 0.0 112.04 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.603 0.716 . . . . 0.0 110.22 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.92 -43.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.373 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 26.4 mm-40 -63.31 -41.32 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -62.46 -41.19 98.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.6 t -64.14 -45.28 89.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.048 0.451 . . . . 0.0 109.91 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -59.87 -26.2 65.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.845 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.3 mt -82.76 -31.81 28.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.795 0.331 . . . . 0.0 111.354 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -75.12 -44.2 48.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.537 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -108.12 -12.29 15.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.235 0.54 . . . . 0.0 111.077 -175.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 68.5 -20.2 0.36 Allowed Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.698 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.62 149.93 18.75 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.083 163.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 76.2 mt -74.18 -3.82 32.1 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.819 0.448 . . . . 0.0 112.165 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.68 -32.02 50.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 111.96 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.8 p -92.23 -3.7 55.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 58.2 m -89.22 70.19 8.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.125 0.488 . . . . 0.0 111.832 -170.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -109.51 145.68 35.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.22 114.49 6.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.556 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.31 3.23 25.99 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.298 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -148.49 167.66 24.76 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.816 -0.226 . . . . 0.0 110.736 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 52.45 43.6 30.8 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.34 0.656 . . . . 0.0 112.615 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.7 -10.02 57.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.748 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 44.2 mt -91.78 118.66 68.41 Favored Pre-proline 0 N--CA 1.447 -0.578 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.1 Cg_exo -68.34 145.67 66.41 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.459 2.106 . . . . 0.0 111.5 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 p -52.78 125.29 38.15 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.17 130.1 37.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.052 2.501 . . . . 0.0 112.37 -174.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.2 t -120.11 178.14 4.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.317 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -126.82 126.04 42.7 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.0 p -75.01 178.07 5.89 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -53.94 -43.67 70.03 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.202 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -93.17 -14.83 26.65 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -81.61 130.94 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.183 0.516 . . . . 0.0 110.158 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -86.66 -47.13 9.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.787 -172.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -173.07 148.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.211 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptp -162.98 140.29 7.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.861 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 m -136.82 140.54 42.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.04 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -105.49 115.57 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 85' ' ' VAL . . . -130.61 110.56 11.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.258 0.551 . . . . 0.0 110.497 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 47.13 45.48 16.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.513 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.4 -26.19 3.09 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.816 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 82' ' ' ALA . 1.4 m -75.46 141.19 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.28 122.93 60.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.36 0.6 . . . . 0.0 110.892 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -103.24 124.03 47.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.821 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.01 146.59 41.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.588 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.8 m -132.52 137.64 47.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.364 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.63 46.97 38.12 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.949 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.481 HE21 ' HG3' ' A' ' 92' ' ' GLU . 20.8 tp60 -76.22 123.41 25.84 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.481 ' HG3' HE21 ' A' ' 91' ' ' GLN . 33.1 mt-10 46.02 -121.33 1.04 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.988 0.515 . . . . 0.0 111.96 -176.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -74.42 -13.24 60.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 62.8 mt -81.93 38.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.236 0.541 . . . . 0.0 110.301 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.26 130.46 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.458 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.54 -15.08 58.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.332 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.1 tt -93.31 130.71 38.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.155 0.502 . . . . 0.0 110.198 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 t -112.23 128.21 56.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.623 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.81 129.18 53.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.18 105.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 52.6 ttp -100.02 113.53 26.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.545 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 85' ' ' VAL . 32.0 m -107.01 100.96 35.2 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.185 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.05 158.48 57.73 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.834 2.356 . . . . 0.0 112.276 178.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -178.873 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.375 -0.125 . . . . 0.0 113.359 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.0 m-90 -126.61 128.91 47.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.096 0.448 . . . . 0.0 110.943 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.92 116.22 27.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 170.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.454 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 3.0 mpt_? -108.74 124.12 50.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -176.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -127.08 128.96 47.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.868 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.14 116.07 26.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.729 0.299 . . . . 0.0 110.305 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 20.1 m120 -110.26 106.62 16.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.3 -176.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.495 HG13 ' H ' ' A' ' 123' ' ' ASP . 3.4 tp -135.15 107.18 7.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.174 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.8 -39.43 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.3 m -86.82 -18.08 31.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -170.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.495 ' H ' HG13 ' A' ' 120' ' ' ILE . 12.8 m-20 -139.81 83.26 1.92 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.607 0.242 . . . . 0.0 111.01 -173.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.5 m -59.36 -28.0 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.758 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.16 -32.57 74.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 111.364 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 94' ' ' LEU . 78.0 mt -70.17 -30.59 67.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.0 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 94.3 mt-30 -57.38 -47.65 81.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.34 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.09 -46.56 67.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.156 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.12 -51.75 67.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 34.4 tt0 -66.07 -31.37 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 110.375 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 0.9 OUTLIER -69.93 -41.06 75.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.6 t -83.01 -48.22 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.041 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 44.2 m-85 -77.5 -20.67 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.233 -172.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 74.8 ttt180 . . . . . 0 N--CA 1.45 -0.456 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.198 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 121.092 0.472 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -70.1 -35.75 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.212 -173.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.22 -34.78 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.08 0.467 . . . . 0.0 110.052 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.54 -35.99 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.206 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.13 -46.63 85.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.234 175.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.01 98.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -31.98 71.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.911 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.6 m -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.793 175.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.62 -40.92 89.01 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.036 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.813 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 33.5 tp -61.61 -42.44 98.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.1 mm-40 -66.48 -28.53 68.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.489 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.483 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 55.0 m -77.25 -33.36 55.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.195 0.522 . . . . 0.0 110.719 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.13 -36.82 75.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.645 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 99.0 t -57.0 -49.82 91.79 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 77.6 Cg_exo -51.64 -36.06 59.45 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.338 2.025 . . . . 0.0 113.059 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.1 m-85 -72.01 -34.51 68.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.253 0.549 . . . . 0.0 109.76 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.552 ' NH2' HG21 ' A' ' 47' ' ' VAL . 5.2 mmp_? -60.59 -40.23 90.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.052 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 24.9 m -53.69 -41.42 66.91 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.049 173.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.24 74.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.771 0.796 . . . . 0.0 110.326 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.552 HG21 ' NH2' ' A' ' 44' ' ' ARG . 87.6 t -71.16 -39.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 45' ' ' THR . 11.9 pt-20 -67.05 -32.94 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.261 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.97 -44.37 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.59 -32.6 74.12 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.396 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -40.0 76.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.467 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.42 -25.01 45.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.003 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.5 -43.71 98.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -108.43 -13.05 14.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.134 0.493 . . . . 0.0 110.598 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -19.77 5.62 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.088 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.21 145.83 18.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.656 164.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.3 -3.06 21.55 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.771 0.428 . . . . 0.0 111.276 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.11 -31.23 18.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.075 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.7 p -94.87 5.47 51.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.923 0.392 . . . . 0.0 112.038 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 78.0 m -101.71 73.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.427 0.632 . . . . 0.0 110.922 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -109.34 159.1 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.899 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.07 108.34 2.41 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.768 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.08 6.49 12.31 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.857 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -148.63 160.66 42.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.275 0.538 . . . . 0.0 111.49 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 53.41 46.67 25.8 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.053 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 -13.25 60.35 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.03 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.75 122.14 59.52 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.45 150.86 70.62 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.439 2.093 . . . . 0.0 112.479 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.8 m -50.73 140.82 18.86 Favored Pre-proline 0 C--O 1.235 0.293 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.894 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.543 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 23.4 Cg_endo -61.2 124.59 15.12 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.533 2.155 . . . . 0.0 111.831 -175.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -136.4 167.62 21.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.783 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.413 HG22 HG12 ' A' ' 76' ' ' VAL . 18.4 p -117.06 126.39 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.606 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.2 p -80.76 177.1 9.25 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -53.49 -39.17 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -174.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -100.0 12.73 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.413 HG12 HG22 ' A' ' 72' ' ' THR . 90.6 t -112.5 130.8 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.358 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 m -97.91 -39.34 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.723 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -146.34 154.3 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -174.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.543 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -163.01 160.16 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.324 -177.044 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -155.2 135.85 13.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.342 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 40.9 t -128.79 121.5 54.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.19 110.69 5.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.035 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 48.81 48.11 20.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.504 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.99 -23.3 18.21 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.115 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 62.3 t -65.7 133.27 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.89 109.86 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.217 0.532 . . . . 0.0 110.246 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 79' ' ' MET . 34.3 t -104.93 125.74 51.26 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.553 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -113.01 147.35 37.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 29.4 m -150.43 145.38 26.02 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 47.29 46.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.575 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -96.08 122.48 38.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.67 -119.84 0.64 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.042 0.537 . . . . 0.0 112.388 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 t -75.64 -14.36 60.36 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 111.597 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 79.0 mt -84.62 40.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.706 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -53.32 136.35 37.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.421 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.55 -22.21 4.85 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.89 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 89' ' ' THR . 9.4 tt -79.37 138.29 37.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.028 0.414 . . . . 0.0 110.566 -175.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 7.5 t -118.55 129.03 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.272 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 59.0 t -109.11 129.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.87 103.73 14.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.072 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 29.9 tpp -83.02 109.57 17.22 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 103' ' ' PRO . 6.0 m -114.68 117.37 42.47 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.857 -174.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 25.6 Cg_exo -64.07 127.94 20.57 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.124 1.883 . . . . 0.0 111.84 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 176.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -117.47 124.09 47.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.293 0.546 . . . . 0.0 111.101 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.86 141.26 29.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.73 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.555 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -108.62 140.93 41.3 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.125 -177.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.9 m120 -143.28 123.69 13.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.4 m -103.72 114.84 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -116.56 106.02 13.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.269 0.557 . . . . 0.0 111.256 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -134.37 108.68 11.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 172.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.84 -39.6 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -165.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 p -96.29 -18.46 19.98 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -133.21 89.7 2.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.874 -169.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 35.3 m -61.0 -25.83 67.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.793 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.19 70.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.014 0.435 . . . . 0.0 111.519 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.47 -37.27 60.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 31.7 tt0 -65.95 -43.89 86.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.601 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 124' ' ' SER . 98.9 mt-30 -52.71 -37.32 58.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.426 0.454 . . . . 0.0 111.36 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -47.1 29.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.163 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.69 -49.09 67.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 4.4 pt-20 -65.99 -23.82 66.65 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.65 -48.66 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.969 0.414 . . . . 0.0 110.296 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.65 -49.01 18.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.32 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.62 21.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.455 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 9.7 ptm180 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 122.163 0.983 . . . . 0.0 113.448 -168.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 54.6 m-80 . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.38 -41.87 72.5 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.998 -172.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.45 -42.45 98.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.271 0.558 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.606 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 19.4 ttp180 -67.95 -34.42 76.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.826 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 54.2 mttm -56.55 -51.46 68.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.188 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.96 76.4 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.26 88.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 109.971 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 70.4 mt -68.86 -36.48 78.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.574 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.9 m -67.33 -38.27 84.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.169 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.07 -39.72 82.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.235 0.541 . . . . 0.0 109.897 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.723 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 16.1 ttt -59.48 -47.52 85.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.8 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 36.8 tp -62.76 -41.36 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.406 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -64.26 -30.57 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.861 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 31.5 m -75.13 -31.77 61.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.381 0.61 . . . . 0.0 110.412 177.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -71.36 -35.08 71.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.22 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.558 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 71.0 t -47.37 -51.89 39.94 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 53.0 Cg_exo -55.2 -37.5 94.24 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.0 1.8 . . . . 0.0 112.925 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.96 -26.12 65.78 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.421 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 55.3 mtm180 -58.28 -43.52 88.02 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.451 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.9 m -51.36 -40.09 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.392 0.432 . . . . 0.0 112.033 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.562 0.696 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.49 -42.54 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.284 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.2 mt-10 -62.29 -44.73 95.84 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.81 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.57 -43.36 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.627 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 t -64.78 -48.42 74.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.459 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -63.48 -23.72 67.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.032 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.0 mt -83.27 -50.11 8.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -70.02 -33.85 72.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.902 -172.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -106.47 -12.5 15.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.486 0.66 . . . . 0.0 109.899 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.07 -20.52 0.22 Allowed Glycine 0 CA--C 1.521 0.457 0 CA-C-N 114.829 -1.078 . . . . 0.0 114.058 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.27 151.7 18.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.691 -1.243 . . . . 0.0 113.064 164.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.695 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 17.7 mt -73.56 -3.0 25.17 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.072 0.549 . . . . 0.0 111.772 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.28 -38.08 50.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.845 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -90.78 6.24 45.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 16.0 m -100.49 54.93 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.489 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t70 -109.12 134.01 52.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.07 113.08 3.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.202 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.8 -4.71 22.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.28 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.6 p -148.3 174.39 12.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 61.33 29.64 18.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.788 0.328 . . . . 0.0 111.812 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.07 -8.33 70.94 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.427 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 47.8 mt -92.88 121.31 66.15 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 20.4 Cg_exo -65.13 145.48 84.69 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.462 2.108 . . . . 0.0 111.889 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.1 m -46.39 136.18 7.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.355 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -49.12 125.07 12.62 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.56 2.84 . . . . 0.0 112.883 -171.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 p -94.92 135.71 36.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.224 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 p -103.58 126.04 50.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.141 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 p -74.89 176.62 6.95 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.455 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -55.96 -43.07 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.14 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -90.97 -19.21 23.5 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.544 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 49.1 t -81.74 130.84 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -84.42 -52.51 6.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.419 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.13 142.18 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.597 0.237 . . . . 0.0 110.706 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ptm -161.37 143.44 11.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.25 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 31.4 t -133.64 145.15 49.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.734 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.27 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -128.47 108.81 10.85 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 46.45 48.44 13.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.669 -1.151 . . . . 0.0 110.976 -176.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.89 -24.35 6.85 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.395 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.86 133.45 31.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 80' ' ' SER . 58.8 t -129.4 112.18 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.044 0.449 . . . . 0.0 110.662 -172.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -104.87 124.08 48.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.028 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.16 148.44 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 m -140.42 149.52 42.7 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.293 -0.563 . . . . 0.0 112.294 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.87 46.1 31.89 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.762 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.723 ' HG2' ' SD ' ' A' ' 36' ' ' MET . 31.9 tp60 -88.66 124.45 34.1 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.831 -176.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.44 ' HG2' HE21 ' A' ' 91' ' ' GLN . 4.7 mm-40 45.84 -117.76 0.71 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.521 178.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.6 t -74.25 -14.62 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.003 0.43 . . . . 0.0 110.832 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 63.2 mt -89.58 37.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.188 0.518 . . . . 0.0 110.619 -175.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -53.55 133.01 41.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.574 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.15 -20.16 22.74 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.978 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.53 HD11 ' SG ' ' A' ' 118' ' ' CYS . 10.5 tt -86.69 143.96 27.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.887 0.375 . . . . 0.0 110.77 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 m -124.67 127.96 48.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.284 177.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.59 129.4 54.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.41 108.63 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.127 0.489 . . . . 0.0 110.26 -175.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 47.9 ttp -91.56 111.5 23.04 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 11.8 m -115.72 82.55 10.46 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.823 -178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HG2' HD13 ' A' ' 57' ' ' LEU . 29.2 Cg_endo -65.51 131.0 26.56 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.266 1.978 . . . . 0.0 111.984 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.141 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.878 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -139.42 123.2 17.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -88.66 130.73 35.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.496 ' HB2' ' HG2' ' A' ' 135' ' ' ARG . 6.4 mmm180 -109.68 120.7 43.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.22 136.9 53.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.53 ' SG ' HD11 ' A' ' 97' ' ' LEU . 46.9 t -124.65 123.94 41.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -124.87 109.52 13.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 111.9 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.8 tp -134.6 110.88 13.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -71.65 -40.31 69.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -167.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -109.05 12.26 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -170.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -152.59 90.26 1.47 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.969 0.414 . . . . 0.0 111.962 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.3 m -60.83 -28.16 68.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.578 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.65 79.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.773 0.32 . . . . 0.0 111.463 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.12 -34.37 77.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.08 -38.23 82.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -53.96 -42.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.681 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.94 35.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.833 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.23 -53.53 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -68.36 -26.86 65.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.318 -175.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.89 -40.23 79.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.7 t -82.34 -40.06 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -83.08 -18.76 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 131' ' ' GLU . 57.8 mtp180 . . . . . 0 C--N 1.324 -0.509 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.581 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -61.49 -45.85 92.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.352 -174.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.7 -34.96 62.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.602 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 33.8 ttm180 -59.1 -41.92 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.739 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -57.93 -49.79 75.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.494 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.91 72.91 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.529 0.68 . . . . 0.0 109.45 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 68.2 mt -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.812 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 33.4 m -65.59 -41.92 92.29 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.228 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.31 -40.38 85.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.79 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.45 -42.27 98.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 41' ' ' VAL . 41.6 tp -57.97 -41.75 83.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 34' ' ' THR . 28.6 mm-40 -61.18 -34.26 74.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.423 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.572 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 39.2 m -75.7 -32.51 60.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.773 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.493 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 32.3 t80 -71.44 -35.07 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 37' ' ' LEU . 72.4 t -49.08 -51.12 58.9 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.572 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.8 Cg_exo -54.76 -32.46 76.59 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.015 1.81 . . . . 0.0 113.376 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -72.99 -27.79 62.01 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.154 -0.341 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -61.97 -37.93 86.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.162 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.43 ' O ' HD23 ' A' ' 49' ' ' LEU . 11.1 m -52.87 -45.13 67.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.579 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.29 76.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.561 0.696 . . . . 0.0 109.908 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.483 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 98.0 t -68.47 -39.68 81.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.585 -1.188 . . . . 0.0 110.123 176.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.85 -40.21 94.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.032 0.444 . . . . 0.0 110.225 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 45' ' ' THR . 4.0 mm? -62.33 -45.89 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.402 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 25.2 p -77.05 -21.62 54.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.692 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.95 63.86 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.29 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -81.12 -16.32 53.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.43 -34.8 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.569 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -107.25 -13.15 15.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 109.251 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.49 -20.5 6.05 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.239 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.93 158.09 14.63 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.399 161.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.79 -1.75 15.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.193 0.597 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.77 -34.91 13.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.841 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 p -87.63 9.86 19.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HA ' HD12 ' A' ' 67' ' ' ILE . 85.2 m -105.82 58.22 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.174 178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 32.2 t70 -106.68 140.01 40.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.764 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.39 101.91 1.67 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.132 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.86 5.91 23.36 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.96 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.0 t -148.14 161.11 42.1 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 59.64 38.44 22.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.653 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.5 -18.99 34.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.748 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 60' ' ' CYS . 53.6 mt -86.18 126.65 64.4 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.87 162.36 39.46 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.111 1.874 . . . . 0.0 112.355 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t -43.46 137.54 3.01 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.257 173.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.611 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 5.2 Cg_endo -46.48 142.7 9.26 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 124.208 3.272 . . . . 0.0 113.516 -170.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m -98.6 140.65 32.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.693 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.36 177.25 4.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.7 p -142.33 175.64 9.61 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.7 -41.69 97.93 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.076 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.644 ' HB3' ' NE2' ' A' ' 91' ' ' GLN . 19.5 m-85 -82.74 -19.2 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -93.33 126.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.088 0.471 . . . . 0.0 110.841 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 t -91.63 -36.24 13.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.37 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.549 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -150.74 152.4 33.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.028 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.611 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -149.32 168.27 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.396 0.617 . . . . 0.0 112.121 -174.412 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 39.3 t -163.04 136.36 5.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.751 176.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.06 113.93 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -135.72 111.03 9.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.946 0.403 . . . . 0.0 110.311 -176.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 51.33 44.33 28.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.591 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 87.48 -24.91 8.87 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.417 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.84 129.75 34.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 80' ' ' SER . 61.8 t -128.93 111.27 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 -172.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 33.0 t -104.64 120.88 42.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.772 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mp -113.85 123.84 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 30.8 m -115.97 148.85 39.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.807 0.337 . . . . 0.0 111.316 -172.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.11 46.88 55.98 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 114.009 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.644 ' NE2' ' HB3' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -78.99 121.15 24.56 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 41.2 mt-10 34.79 -112.94 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -173.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -74.7 -13.89 60.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.422 -175.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 65.6 mt -84.38 37.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.176 0.512 . . . . 0.0 110.294 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.07 135.65 56.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.261 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.66 -10.46 62.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.632 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -100.1 138.51 37.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.958 0.408 . . . . 0.0 110.426 -177.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.2 m -118.29 121.08 39.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.356 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.547 HG22 ' SG ' ' A' ' 130' ' ' CYS . 21.6 t -90.09 119.81 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.06 102.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -177.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.493 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 56.8 ttp -87.09 110.84 20.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.5 m -107.72 90.36 6.17 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.171 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 58.3 Cg_endo -75.2 142.35 27.17 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.437 2.091 . . . . 0.0 111.826 176.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.808 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.545 176.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -103.95 123.42 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.625 0.25 . . . . 0.0 110.351 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -95.07 134.74 37.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -113.28 121.99 46.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.159 0.505 . . . . 0.0 111.472 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -131.77 113.32 13.38 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.253 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.5 114.58 28.97 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -104.43 105.22 15.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.147 0.499 . . . . 0.0 110.678 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 4.5 tp -135.68 95.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.019 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.97 -20.71 59.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.405 -167.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.5 p -99.34 -15.49 18.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -145.7 80.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.776 0.322 . . . . 0.0 111.045 -171.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.8 m -59.77 -24.94 64.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.828 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.05 -32.82 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.82 -41.42 83.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.44 -41.35 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.861 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -48.14 24.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.547 ' SG ' HG22 ' A' ' 99' ' ' VAL . 42.0 t -62.27 -52.81 62.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.115 -174.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.88 -33.46 75.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.121 0.486 . . . . 0.0 110.617 -175.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.98 -38.6 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.161 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 75.8 t -80.97 -46.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -71.57 -18.6 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 . . . . . 0 C--N 1.324 -0.507 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.358 178.257 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m120 . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 120.494 0.188 . . . . 0.0 111.391 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.17 -30.59 69.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.612 0.244 . . . . 0.0 111.277 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.4 -43.07 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' O ' HD13 ' A' ' 33' ' ' LEU . 38.4 ttm180 -66.59 -36.63 83.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.759 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -57.05 -46.28 82.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.097 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.89 75.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.808 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.19 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.062 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 29' ' ' ARG . 4.7 mp -63.99 -41.0 97.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.161 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -66.85 -37.25 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.87 -41.93 82.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.1 -39.89 95.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.144 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.2 tp -62.89 -41.93 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.464 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -68.0 -30.19 69.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.0 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.624 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 54.3 m -75.19 -27.48 59.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.17 0.509 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -70.03 -33.99 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.593 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 87.3 t -50.46 -51.96 59.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.624 ' HD2' ' O ' ' A' ' 39' ' ' THR . 47.1 Cg_exo -58.31 -25.44 72.67 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.258 1.972 . . . . 0.0 113.24 176.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.27 -34.59 61.37 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.524 0.678 . . . . 0.0 109.19 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 39.2 mtm180 -61.21 -34.16 74.64 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.195 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.608 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 25.6 m -50.84 -40.36 55.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.57 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.26 80.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.35 -41.25 73.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.329 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 44.7 mm-40 -64.41 -35.07 79.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.433 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 45' ' ' THR . 95.9 mt -61.42 -45.75 92.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.96 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.15 -45.62 76.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.568 177.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.07 71.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.752 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.6 tp -81.47 -21.54 38.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.969 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -78.45 -48.19 15.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -110.05 -13.68 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.62 -19.75 3.08 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 119.993 -0.337 . . . . 0.0 113.534 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.73 145.16 16.86 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.376 165.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 85.0 mt -74.92 -9.0 58.12 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.458 0.303 . . . . 0.0 111.713 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.4 -34.69 58.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.024 0.44 . . . . 0.0 111.741 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.9 p -82.55 -7.35 59.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.238 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 24.1 m -89.16 70.62 8.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 110.524 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -110.26 152.13 26.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.05 85.45 0.9 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.356 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.32 15.98 2.94 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.526 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 m -149.42 159.71 44.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.903 0.352 . . . . 0.0 110.802 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 54.7 41.21 32.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.158 0.583 . . . . 0.0 112.035 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.44 -19.17 25.09 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.172 176.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 60' ' ' CYS . 34.9 mt -84.42 120.96 75.0 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.12 156.39 33.74 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.316 2.011 . . . . 0.0 112.167 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -54.02 136.64 57.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.327 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 30.5 Cg_endo -62.35 156.15 53.0 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.101 2.534 . . . . 0.0 112.867 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.3 p -116.31 162.39 17.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.999 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.9 p -112.14 124.33 52.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.7 p -89.46 177.58 6.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.43 -43.62 68.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -98.87 16.52 22.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG22 HE22 ' A' ' 91' ' ' GLN . 98.4 t -104.75 129.61 57.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -92.78 -42.07 9.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -154.38 160.96 41.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.051 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -160.4 156.93 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.523 -176.392 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 77.6 p -157.21 141.68 16.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.868 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 86' ' ' VAL . 34.4 t -123.12 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.11 109.7 5.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.456 . . . . 0.0 110.083 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 54.25 41.34 32.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.237 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.76 -22.87 8.35 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 113.096 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.499 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 44.0 t -69.93 134.04 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 80' ' ' SER . 24.4 m -135.08 119.88 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.527 0.68 . . . . 0.0 110.872 -174.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.3 m -103.51 120.69 41.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.343 175.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 88' ' ' LEU . 1.8 mm? -114.44 111.19 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.113 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.504 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 33.3 m -106.49 148.16 28.52 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.536 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.75 47.84 82.47 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.436 -178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 25.2 tp60 -89.06 126.16 35.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 54.44 -141.45 0.86 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.172 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -65.49 -12.43 52.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.046 0.45 . . . . 0.0 111.469 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 35.7 mt -80.76 40.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.166 0.586 . . . . 0.0 110.858 -173.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -55.57 138.45 46.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.065 0.46 . . . . 0.0 110.535 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.25 -19.69 21.28 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.662 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.8 tt -88.93 139.38 30.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t -120.09 123.28 43.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.977 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 87' ' ' SER . 23.7 t -96.11 126.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.96 102.73 14.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 38.6 ttm -98.61 110.65 23.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.936 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 26.2 m -111.84 97.79 39.09 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.945 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.499 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 23.1 Cg_endo -64.2 129.87 25.5 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.064 1.843 . . . . 0.0 110.977 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.364 -177.154 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.829 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' PRO . 21.4 m-90 -112.71 135.4 53.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 0.0 111.62 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.98 120.48 31.23 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -109.32 140.05 43.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.05 0.453 . . . . 0.0 110.852 -177.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -142.21 124.63 15.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.609 174.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -104.76 114.54 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -109.34 105.88 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -135.43 104.21 4.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.252 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.05 -38.39 66.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -168.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -98.65 0.64 45.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -145.67 75.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.495 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.5 m -59.24 -19.93 49.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.676 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.5 -32.8 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.188 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 8.3 tt0 -61.09 -48.36 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 177.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -62.23 -33.58 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.286 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.14 -41.96 60.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.002 0.43 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.416 ' HB2' HD13 ' A' ' 94' ' ' LEU . 48.8 t -64.81 -52.4 56.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.107 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 12.2 pt-20 -61.84 -24.15 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -178.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.17 -51.28 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.882 0.372 . . . . 0.0 110.695 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.53 -48.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.414 0.626 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -81.62 24.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.892 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 121.85 0.833 . . . . 0.0 112.662 -171.157 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.6 tpt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.681 0.277 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -72.21 -74.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.947 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 56.32 51.2 11.91 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.764 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.37 -34.08 77.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.935 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.63 -49.37 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.847 0.356 . . . . 0.0 110.445 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 44.9 ttp180 -67.66 -37.38 82.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.385 176.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -60.3 -48.03 83.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.749 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.88 -30.52 70.92 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.9 77.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.534 0.683 . . . . 0.0 109.665 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.5 mt -65.54 -33.57 76.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.92 176.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 51.1 m -63.9 -42.77 97.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.076 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -68.08 -35.93 79.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.147 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.5 tpp -60.33 -43.79 96.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.671 175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.15 -39.22 93.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.431 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.8 mm-40 -66.87 -24.51 66.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.137 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.591 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 27.1 m -75.13 -32.73 61.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.206 0.527 . . . . 0.0 110.09 176.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 25.7 t80 -70.21 -34.65 73.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.806 177.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 54.9 t -45.9 -53.41 21.15 Favored Pre-proline 0 CA--C 1.544 0.722 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.4 Cg_exo -57.79 -36.7 98.2 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.76 1.64 . . . . 0.0 112.587 177.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -71.66 -25.76 62.26 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.2 -0.2 . . . . 0.0 111.245 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -58.03 -47.1 84.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.249 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.9 m -53.15 -42.04 65.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.504 175.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.64 -37.29 86.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.421 0.629 . . . . 0.0 110.338 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.99 -45.82 95.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.076 -0.966 . . . . 0.0 109.948 176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.37 -41.22 85.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.348 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.8 mt -58.87 -44.08 91.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.22 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.85 -60.77 3.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.588 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.37 -29.21 65.83 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.19 -47.82 12.02 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.764 0.316 . . . . 0.0 111.496 -177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -77.22 -43.3 34.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.965 0.412 . . . . 0.0 111.181 -175.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -89.6 -6.67 56.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.671 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.3 19.79 57.81 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.819 -0.628 . . . . 0.0 113.155 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -139.96 140.72 10.92 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.647 -1.264 . . . . 0.0 111.585 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.3 mt -78.48 -26.27 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.907 0.854 . . . . 0.0 109.319 164.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.59 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 25.0 t70 -61.98 -25.53 67.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.793 -1.094 . . . . 0.0 112.125 -175.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 22.0 p -87.65 -7.47 57.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.214 0.531 . . . . 0.0 111.447 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 m -89.11 57.64 4.17 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.241 0.543 . . . . 0.0 111.215 -172.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -104.93 151.65 23.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.058 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.64 119.39 8.31 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.429 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.24 5.35 32.6 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.669 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.3 t -148.61 165.97 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.892 0.346 . . . . 0.0 110.315 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 53.46 39.47 30.01 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.85 -13.52 48.0 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.752 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 38.8 mt -82.48 127.45 70.7 Favored Pre-proline 0 N--CA 1.447 -0.575 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 33.7 Cg_exo -57.91 159.71 17.19 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.772 2.314 . . . . 0.0 112.427 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 p -76.71 141.79 69.23 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.757 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.07 122.97 12.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.221 1.947 . . . . 0.0 111.497 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -149.82 179.44 8.03 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.288 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 p -129.74 126.53 38.44 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.165 0.507 . . . . 0.0 110.925 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.2 p -80.31 177.0 9.27 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 173.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -55.01 -43.58 73.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.845 0.293 . . . . 0.0 111.642 -173.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -88.08 -18.96 27.75 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.466 -0.493 . . . . 0.0 112.085 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.44 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 57.0 t -81.42 127.43 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.143 0.496 . . . . 0.0 110.419 -176.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -85.98 -43.49 13.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.516 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.68 143.47 1.71 Allowed 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.711 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.455 ' HA ' ' O ' ' A' ' 87' ' ' SER . 11.1 ptp -159.8 140.52 12.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.539 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 16.5 m -126.92 148.44 50.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.947 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -122.68 112.56 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -133.98 110.82 9.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 0.0 110.617 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 59.4 mmtt 54.22 40.18 31.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.419 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.08 -24.52 6.06 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 115.729 -0.668 . . . . 0.0 113.06 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.69 136.64 25.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 175.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 80' ' ' SER . 29.3 m -133.44 122.21 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.515 0.674 . . . . 0.0 110.448 -175.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 4.6 p -101.67 126.25 48.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.847 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -102.93 126.96 50.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.882 -1.053 . . . . 0.0 108.253 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.4 m -121.33 135.21 55.12 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.867 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.15 39.52 42.27 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.358 -0.837 . . . . 0.0 113.662 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.44 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 20.5 tp60 -82.48 127.1 32.98 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -174.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 60.68 -141.27 0.54 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.22 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.4 m -63.74 -12.67 36.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.597 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 130' ' ' CYS . 49.5 mt -81.25 37.44 0.45 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 111.284 -171.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -54.73 132.84 46.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.475 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.67 -20.55 30.88 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.708 -176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.559 HD11 ' SG ' ' A' ' 130' ' ' CYS . 9.8 tt -87.82 143.28 27.23 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.96 0.41 . . . . 0.0 110.201 -177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 18.8 m -128.96 125.07 36.66 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.995 176.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' A' ' 87' ' ' SER . 63.7 t -100.24 130.48 49.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.11 104.81 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.902 0.382 . . . . 0.0 110.423 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.524 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 39.7 tpp -91.24 110.9 22.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.608 177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 24.3 m -115.43 93.79 37.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-O 120.701 0.286 . . . . 0.0 111.398 -176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.446 ' HB3' ' CD1' ' A' ' 114' ' ' TRP . 38.0 Cg_endo -68.09 135.86 36.01 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.802 2.334 . . . . 0.0 112.603 174.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 112' ' ' THR . . . -107.49 145.7 16.13 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.681 176.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 15.2 t-105 -140.1 66.51 1.39 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -123.74 96.08 4.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.574 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -64.38 -29.01 70.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.643 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.76 -26.74 65.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.452 ' HB2' HG22 ' A' ' 111' ' ' VAL . 90.4 m-20 -101.8 3.51 39.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.15 178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.06 32.95 63.4 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.186 -0.916 . . . . 0.0 113.017 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 109' ' ' ASN . 32.1 m -120.66 132.66 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.135 0.493 . . . . 0.0 111.614 -176.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 104' ' ' GLY . 29.8 m -155.69 81.38 1.02 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.449 176.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . -154.19 -175.74 25.75 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.764 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.524 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 22.2 m-90 -109.91 122.28 47.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.747 0.273 . . . . 0.0 110.544 -178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.48 133.33 36.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.125 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtm-85 -115.86 142.07 47.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.928 0.394 . . . . 0.0 111.45 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -145.84 140.04 26.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.698 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.1 m -107.65 116.32 31.74 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.449 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -110.41 102.29 10.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.135 0.493 . . . . 0.0 109.77 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.6 tp -138.49 100.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.455 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -75.82 -34.9 60.14 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -169.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.8 p -95.93 -9.52 31.04 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -171.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -142.81 85.92 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.2 m -60.67 -28.02 68.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.633 176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.3 85.94 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.947 0.403 . . . . 0.0 111.388 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.4 mt -69.74 -32.1 70.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.126 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.54 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 7.3 tt0 -63.01 -40.75 98.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.187 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.2 -36.92 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.356 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.78 -48.34 25.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.559 ' SG ' HD11 ' A' ' 97' ' ' LEU . 20.7 p -70.88 -42.18 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.307 -175.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -62.4 -23.79 67.02 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.032 0.208 . . . . 0.0 110.947 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.2 -49.43 67.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.917 0.389 . . . . 0.0 110.423 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 33' ' ' LEU . 91.7 t -82.88 -46.51 18.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.27 0.557 . . . . 0.0 111.207 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -85.82 24.07 1.33 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.781 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -50.83 140.11 15.66 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.609 -170.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.441 ' HB2' ' HB3' ' A' ' 141' ' ' LEU . 7.7 p90 -135.33 129.07 32.89 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.305 -169.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -81.16 157.61 25.23 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.72 -38.11 63.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.113 0.483 . . . . 0.0 111.261 -177.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.25 -18.15 53.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.001 -178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -115.41 24.15 11.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.318 0.58 . . . . 0.0 111.229 -173.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 136' ' ' PHE . 4.5 pp -118.06 139.05 51.79 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.705 -0.398 . . . . 0.0 109.941 173.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.11 126.73 84.94 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 173.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.49 132.79 28.19 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.298 1.998 . . . . 0.0 112.384 -174.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 144' ' ' ARG . 12.3 mmm180 -127.39 137.98 52.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.493 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -143.39 158.4 27.26 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.318 -0.944 . . . . 0.0 111.72 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.2 m -96.92 117.75 31.81 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 74.11 -34.6 0.92 Allowed Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.637 177.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.7 mt -103.36 87.44 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.436 0.618 . . . . 0.0 111.438 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -113.79 -31.91 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.855 170.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -69.49 136.09 51.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.571 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -102.25 111.28 23.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.131 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -78.23 84.19 4.45 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.038 0.446 . . . . 0.0 110.235 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -99.94 -36.71 9.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.201 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -80.96 106.67 13.15 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.885 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.362 -178.208 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 64.0 mtt . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 49.66 44.27 24.52 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.266 0.555 . . . . 0.0 111.826 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 31.0 p30 -140.64 19.73 2.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.375 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -74.02 -40.79 62.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.442 -172.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.38 -34.3 74.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.207 0.527 . . . . 0.0 109.766 175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 23.8 ttp180 -67.45 -33.5 75.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.639 176.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 65.5 mttm -56.6 -50.43 71.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.195 176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -35.89 82.19 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.633 0.235 . . . . 0.0 111.633 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -62.34 -45.63 92.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.372 0.606 . . . . 0.0 110.132 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.5 mt -67.85 -32.66 73.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.031 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.1 m -64.65 -36.98 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.82 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -68.04 -39.14 83.14 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.877 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.83 -39.84 95.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.063 176.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 tp -64.69 -43.0 94.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.33 176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -68.65 -27.48 66.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.529 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.597 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 41.8 m -75.27 -30.52 60.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.301 0.572 . . . . 0.0 110.059 173.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 101' ' ' MET . 39.4 t80 -70.31 -34.23 72.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.951 178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 77.9 t -50.16 -50.79 67.75 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.597 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.2 Cg_exo -56.68 -31.8 88.71 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 121.968 1.779 . . . . 0.0 112.955 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -74.24 -31.55 62.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.46 0.647 . . . . 0.0 109.631 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 98.8 mtt180 -58.55 -36.15 73.45 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.615 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.9 m -52.01 -42.49 63.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.121 0.263 . . . . 0.0 111.207 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 110.065 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.4 t -66.15 -42.68 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.16 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 43.2 mt-10 -65.58 -39.74 91.96 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.511 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -58.98 -44.25 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.381 176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 37.7 t -63.25 -52.82 60.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.127 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.644 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -55.52 -27.9 51.52 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.705 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.9 mt -82.43 -39.18 22.97 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.092 -0.38 . . . . 0.0 111.413 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.71 -44.34 61.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.767 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -107.63 -13.73 14.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.226 0.536 . . . . 0.0 110.941 -176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 65.73 -20.46 0.15 Allowed Glycine 0 CA--C 1.523 0.588 0 CA-C-N 115.442 -0.799 . . . . 0.0 114.079 -179.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -107.65 145.74 16.18 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 119.668 -1.253 . . . . 0.0 113.079 164.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.602 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 31.7 mt -73.22 -3.51 27.17 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.021 0.528 . . . . 0.0 111.239 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.555 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 4.2 m-20 -48.89 -36.95 18.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.186 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.9 p -95.19 4.72 53.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.701 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.602 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 30.6 m -94.26 56.96 2.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.504 0.668 . . . . 0.0 109.691 -177.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -104.1 137.58 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.791 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.09 102.68 1.19 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.573 -0.823 . . . . 0.0 111.623 178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 126.8 0.25 7.17 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.765 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.2 p -148.1 169.59 19.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.899 0.35 . . . . 0.0 110.469 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 58.71 34.17 23.59 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.743 0.417 . . . . 0.0 112.121 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.07 -18.86 33.63 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.478 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 51.9 mt -81.36 126.1 77.34 Favored Pre-proline 0 N--CA 1.448 -0.563 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.3 147.31 47.15 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.431 2.087 . . . . 0.0 112.44 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.2 m -46.49 136.52 7.29 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.238 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.29 135.76 53.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.98 2.453 . . . . 0.0 112.177 -174.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 t -133.8 174.7 10.17 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.401 HG22 HG12 ' A' ' 76' ' ' VAL . 32.4 p -128.82 126.51 40.0 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.024 0.44 . . . . 0.0 110.395 -177.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.432 ' OG1' HG23 ' A' ' 76' ' ' VAL . 52.9 p -72.14 177.53 4.37 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 174.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -55.02 -42.92 73.2 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.254 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -86.82 -18.52 30.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.435 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 72.1 t -82.08 129.51 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.176 0.513 . . . . 0.0 110.428 -177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.7 t -89.31 -40.31 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.924 -174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -169.0 139.36 2.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.9 ptm -166.93 143.68 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.365 0.416 . . . . 0.0 110.597 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.0 t -137.47 153.58 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.21 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.0 116.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.071 -176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.437 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -133.73 111.66 10.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.986 0.422 . . . . 0.0 110.494 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.555 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 34.5 mmtp 53.47 42.61 31.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.043 -0.981 . . . . 0.0 110.104 -177.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.96 -23.75 3.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-N 116.444 -0.343 . . . . 0.0 112.967 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 52.3 t -66.22 139.18 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.2 t -135.55 110.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.967 0.413 . . . . 0.0 109.903 -174.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.463 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 9.0 t -105.15 132.29 51.55 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.331 0.586 . . . . 0.0 111.073 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.93 142.43 45.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.309 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 m -123.48 130.28 52.46 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.96 0.409 . . . . 0.0 111.683 -175.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 49.66 46.27 38.5 Favored Glycine 0 C--N 1.332 0.314 0 CA-C-N 115.104 -0.953 . . . . 0.0 113.709 178.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.541 ' NE2' ' HG3' ' A' ' 92' ' ' GLU . 46.4 tp60 -69.81 124.28 23.6 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.534 0.207 . . . . 0.0 110.92 -175.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.541 ' HG3' ' NE2' ' A' ' 91' ' ' GLN . 44.9 mt-10 46.02 -117.29 0.68 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.142 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 m -74.38 -14.34 60.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.588 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 58.4 mt -84.94 38.74 0.72 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.272 0.558 . . . . 0.0 110.364 -172.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.8 136.27 55.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.568 178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.49 -18.94 16.28 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.659 -175.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.5 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.7 tt -88.2 137.74 32.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.974 0.416 . . . . 0.0 110.242 -177.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 m -115.31 125.53 53.37 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.407 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 87' ' ' SER . 36.6 t -101.84 133.51 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -121.71 105.55 16.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.33 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 40' ' ' PHE . 35.5 tpp -89.52 110.54 21.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.9 m -116.08 106.59 49.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.608 0.242 . . . . 0.0 111.513 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.33 140.35 69.97 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 123.039 2.492 . . . . 0.0 112.413 177.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.84 167.52 16.34 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.387 178.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 8.4 m-90 -108.34 113.63 26.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.854 0.359 . . . . 0.0 110.467 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 109' ' ' ASN . 6.4 p-10 -147.59 54.23 1.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.553 0.692 . . . . 0.0 110.294 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -56.57 -32.81 65.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.735 -174.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.7 -22.4 43.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 111.742 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.454 ' HB2' ' HB2' ' A' ' 106' ' ' ASP . 95.0 m-20 -90.53 -15.39 30.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.888 0.375 . . . . 0.0 111.174 -176.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.83 25.89 45.9 Favored Glycine 0 CA--C 1.52 0.349 0 CA-C-N 115.461 -0.79 . . . . 0.0 114.603 177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.1 m -134.25 58.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 117.683 0.742 . . . . 0.0 110.676 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 90.9 m -43.53 116.02 0.88 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.802 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -114.29 158.09 14.54 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.143 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 16.8 m-90 -116.77 128.73 55.58 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.79 124.8 33.99 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.491 ' HD2' ' HA ' ' A' ' 134' ' ' PHE . 65.7 mtm180 -109.4 140.88 42.56 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.812 -173.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -144.1 130.2 19.59 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.012 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 82.2 m -108.96 115.21 29.64 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -110.82 105.0 13.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.028 0.442 . . . . 0.0 110.871 -179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.66 104.48 4.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.357 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.29 -38.21 63.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -169.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.2 p -95.67 -8.81 33.69 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -171.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -139.89 88.41 2.23 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.743 -170.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 39.8 m -60.64 -26.66 67.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.212 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.6 98.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.65 -33.2 74.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 109.823 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.48 -39.62 94.92 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.302 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 124' ' ' SER . 27.3 mm-40 -59.62 -38.31 80.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.991 0.424 . . . . 0.0 110.889 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.87 -48.15 26.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.926 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.19 -52.54 33.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.394 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.5 tt0 -64.47 -22.82 67.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.042 -174.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -60.42 -49.19 78.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.267 0.556 . . . . 0.0 109.806 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.1 t -83.89 -48.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.518 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.601 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 92.7 m-85 -90.75 24.72 2.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.402 -174.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 27.4 ptt180 -51.34 146.1 7.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.069 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -86.08 124.82 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.811 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -83.63 145.24 28.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.27 0.557 . . . . 0.0 110.592 -177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -86.32 5.08 36.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.936 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.17 -49.37 9.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.683 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -81.02 -27.44 35.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.255 0.55 . . . . 0.0 110.047 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 82.1 mt -87.16 92.82 9.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.77 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.9 t -67.19 123.88 87.51 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.483 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.39 144.21 62.51 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.686 2.257 . . . . 0.0 111.587 178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -75.57 99.19 4.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.09 0.472 . . . . 0.0 110.802 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -134.03 -158.78 8.69 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.466 177.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 38.7 m -78.81 153.21 30.87 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.006 0.431 . . . . 0.0 111.031 -178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.47 -26.2 10.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.158 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.51 95.13 6.26 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.39 -36.33 16.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.225 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -89.07 131.09 35.39 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.555 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -84.7 123.84 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.963 0.411 . . . . 0.0 110.127 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -72.59 140.27 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.44 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -137.38 99.44 3.97 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.414 0.626 . . . . 0.0 110.348 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -123.51 147.15 47.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.137 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.041 -179.623 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 120.866 0.365 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.456 ' C ' HD22 ' A' ' 26' ' ' ASN . 43.9 tt0 -75.56 -64.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.362 -177.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.456 HD22 ' C ' ' A' ' 25' ' ' GLU . 0.9 OUTLIER -120.82 11.16 11.07 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.246 -0.283 . . . . 0.0 111.586 -179.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -62.92 -40.02 96.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.751 0.31 . . . . 0.0 111.534 -174.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.76 -41.9 71.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.158 0.504 . . . . 0.0 109.986 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 25.0 ttp180 -62.84 -40.18 96.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.24 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -64.67 -47.58 77.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.021 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.93 -41.37 78.1 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.8 98.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.309 0.576 . . . . 0.0 110.132 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HB2' HG21 ' A' ' 133' ' ' VAL . 87.3 mt -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.474 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.499 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 86.9 m -64.56 -39.93 94.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.082 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.53 -38.67 90.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.974 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.7 tpt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.878 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -59.64 -41.83 91.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 34' ' ' THR . 30.6 mm-40 -64.53 -37.31 87.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.602 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.515 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 10.1 m -75.35 -22.72 57.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.465 0.65 . . . . 0.0 110.403 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 30.2 t80 -70.44 -34.17 72.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.846 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.584 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 98.0 t -54.38 -50.63 83.95 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.984 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 50.9 Cg_exo -56.22 -24.54 51.06 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 122.27 1.98 . . . . 0.0 113.109 173.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 30.5 m-85 -76.12 -39.45 55.12 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 5.7 mmp_? -58.27 -44.17 88.27 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 114.301 -1.318 . . . . 0.0 110.451 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.5 ' O ' HD23 ' A' ' 49' ' ' LEU . 13.2 m -50.77 -39.61 52.92 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.74 78.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.532 0.682 . . . . 0.0 110.553 177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.4 -48.97 39.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.058 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 64.1 mm-40 -65.13 -37.48 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.908 0.385 . . . . 0.0 110.516 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 45' ' ' THR . 4.2 mm? -66.71 -36.21 81.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.439 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.6 t -65.88 -47.59 74.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.826 173.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -57.32 -24.25 53.86 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.619 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.1 tp -82.74 -39.77 21.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.949 0.404 . . . . 0.0 110.804 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -66.46 -43.25 86.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.896 -175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -107.4 -12.47 15.31 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.379 0.609 . . . . 0.0 110.216 -176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 70.86 -21.47 0.6 Allowed Glycine 0 CA--C 1.519 0.311 0 CA-C-N 115.179 -0.918 . . . . 0.0 113.044 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.53 152.76 17.33 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.859 163.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 50.6 mt -73.42 -3.38 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 122.845 0.458 . . . . 0.0 111.433 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 6.7 m-20 -49.66 -40.39 39.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.319 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.3 p -86.85 -5.71 59.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.108 0.48 . . . . 0.0 111.631 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 29.3 m -91.67 57.0 3.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.378 0.608 . . . . 0.0 110.346 -173.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.594 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t70 -112.59 151.82 29.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.013 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.67 93.0 0.45 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.08 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.18 3.73 3.85 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.874 -0.679 . . . . 0.0 113.119 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -148.37 158.49 44.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.373 0.586 . . . . 0.0 111.476 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 t30 56.58 47.35 18.72 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.914 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.21 -19.06 37.21 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.958 175.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.0 mt -92.41 117.69 67.74 Favored Pre-proline 0 C--N 1.322 -0.598 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.69 165.19 33.43 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.435 2.09 . . . . 0.0 112.438 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m -45.99 142.06 4.1 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.177 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.79 134.72 64.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.081 2.521 . . . . 0.0 111.888 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -139.38 -179.96 6.19 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.9 p -132.08 126.54 34.05 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.12 0.485 . . . . 0.0 110.615 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.2 p -77.3 176.5 8.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -54.17 -44.54 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -168.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -97.98 10.54 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.804 -0.56 . . . . 0.0 112.295 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 73.9 t -98.68 132.11 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.847 0.356 . . . . 0.0 110.126 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.9 m -87.07 -45.63 10.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.956 -176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.07 134.2 1.23 Allowed 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.056 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.6 ptm -158.53 141.5 14.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.424 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.2 t -130.99 147.25 52.6 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.0 119.7 60.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.594 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -133.75 108.85 8.74 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 121.1 0.476 . . . . 0.0 110.175 -179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.4 mmtp 48.58 49.21 18.8 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 110.668 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.75 -24.31 4.53 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 115.999 -0.546 . . . . 0.0 113.349 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -70.7 142.63 15.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 25.4 m -133.35 117.09 26.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.492 0.663 . . . . 0.0 110.596 -179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' HA ' ' A' ' 79' ' ' MET . 13.5 p -104.78 128.88 53.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.486 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.28 149.82 38.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.277 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.6 m -137.57 141.84 41.35 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.18 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.02 41.7 22.14 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 115.311 -0.859 . . . . 0.0 113.901 178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.516 HE21 ' HG2' ' A' ' 92' ' ' GLU . 27.2 tp60 -73.9 123.14 23.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.786 0.293 . . . . 0.0 110.551 -174.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.516 ' HG2' HE21 ' A' ' 91' ' ' GLN . 21.8 mm-40 48.14 -120.92 1.31 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.741 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.6 t -74.89 -13.63 60.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.917 0.389 . . . . 0.0 111.28 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 71.1 mt -81.44 39.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.261 0.553 . . . . 0.0 110.535 -174.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -57.1 134.34 55.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.53 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.13 -16.18 34.78 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.617 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.3 tt -96.24 135.33 38.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.915 0.388 . . . . 0.0 110.32 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.2 t -114.7 135.25 54.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.808 175.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 46.4 t -112.02 124.76 69.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.2 t -116.91 108.81 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.619 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 52.2 tpp -94.21 110.35 22.09 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.6 m -114.46 105.4 53.78 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.118 -176.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.423 ' HB2' HD11 ' A' ' 57' ' ' LEU . 16.4 Cg_exo -67.83 131.68 24.73 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 122.512 2.142 . . . . 0.0 111.418 173.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.83 26.49 1.12 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.963 -0.636 . . . . 0.0 111.728 -178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.446 ' HB2' ' HB2' ' A' ' 115' ' ' ALA . 67.5 t-105 -82.64 -31.64 28.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.134 0.493 . . . . 0.0 110.583 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -74.1 109.94 7.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.236 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -68.77 -26.48 65.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.057 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.99 77.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.645 -176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.63 ' HB2' ' OG1' ' A' ' 112' ' ' THR . 32.9 m-80 -101.35 -28.72 12.45 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.888 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.38 -37.36 3.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.562 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 24.2 m -100.42 -7.32 9.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.63 ' OG1' ' HB2' ' A' ' 109' ' ' ASN . 1.0 OUTLIER -101.36 171.3 7.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.776 0.322 . . . . 0.0 111.519 -176.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.33 110.71 0.34 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.062 178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.619 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 6.0 m-90 -88.99 123.56 33.43 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 105' ' ' TRP . . . -95.77 135.84 36.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.645 0.259 . . . . 0.0 110.753 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.62 ' H ' ' NE ' ' A' ' 116' ' ' ARG . 0.0 OUTLIER -108.49 142.06 39.45 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.45 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 47.3 t-20 -142.08 120.17 12.13 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.267 178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 60.1 m -105.63 115.47 30.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.15 176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 15.9 m120 -108.09 102.27 11.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.055 0.455 . . . . 0.0 109.84 177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.6 tp -137.14 106.77 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.693 176.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.94 -38.62 64.19 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.8 p -97.12 -22.64 16.64 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -169.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.531 ' H ' HG13 ' A' ' 120' ' ' ILE . 13.1 m-20 -129.43 96.29 4.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -168.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.2 t -61.0 -29.3 69.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.313 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.454 ' HA ' HE21 ' A' ' 128' ' ' GLN . . . -64.31 -36.31 83.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.742 -177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.48 -36.27 80.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.269 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.591 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 45.2 tt0 -62.24 -44.44 96.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.454 HE21 ' HA ' ' A' ' 125' ' ' ALA . 49.2 mt-30 -57.59 -32.08 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.24 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.06 -47.12 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.477 178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 30.5 p -70.52 -48.13 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.381 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 10.3 pt-20 -63.03 -25.24 68.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.714 0.292 . . . . 0.0 110.899 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 19.7 t70 -69.71 -43.3 72.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' A' ' 33' ' ' LEU . 88.9 t -82.59 -43.63 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.189 0.518 . . . . 0.0 111.183 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.23 21.81 0.88 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.065 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 133' ' ' VAL . 6.1 ptm180 -51.28 150.32 3.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.492 -173.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 141' ' ' LEU . 1.3 p90 -95.79 115.32 27.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.871 -177.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.88 135.52 52.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.613 176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -65.8 -8.85 23.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.196 -175.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.62 -30.97 72.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.054 0.455 . . . . 0.0 110.279 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.2 9.25 43.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.824 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 136' ' ' PHE . 76.5 mt -123.48 107.56 11.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.363 -178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.6 p -63.09 122.55 75.94 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 121.037 0.446 . . . . 0.0 109.888 174.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -74.8 137.47 22.25 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.411 2.074 . . . . 0.0 112.323 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.696 ' O ' ' HB2' ' A' ' 148' ' ' LEU . 17.0 mmm180 -117.72 98.3 6.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.676 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 71.95 -174.99 42.5 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.09 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.7 m -101.47 123.03 44.87 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.665 -0.315 . . . . 0.0 110.572 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 85.32 0.29 88.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.009 -0.615 . . . . 0.0 113.061 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.696 ' HB2' ' O ' ' A' ' 144' ' ' ARG . 58.2 mt -102.33 90.64 3.96 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.813 0.339 . . . . 0.0 110.167 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -104.91 -52.25 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.789 0.328 . . . . 0.0 110.6 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -139.53 75.24 1.5 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.022 0.439 . . . . 0.0 110.129 177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.512 ' CD2' ' HA ' ' A' ' 148' ' ' LEU . 19.7 m-70 -103.13 109.19 20.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.287 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -176.54 -34.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.455 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -94.74 128.65 41.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.725 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -150.54 158.53 44.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.361 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.643 -0.694 . . . . 0.0 110.539 -177.197 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.497 0.189 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -88.92 138.68 31.19 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -125.29 35.66 4.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.541 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 76.2 t80 -64.77 -36.37 84.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.23 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.05 -38.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 0.0 109.987 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HE ' ' HB2' ' A' ' 129' ' ' ALA . 44.2 ttp180 -67.82 -34.15 76.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.36 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' HD2' ' HA ' ' A' ' 27' ' ' TYR . 66.0 mttm -57.87 -49.17 77.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.325 175.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' O ' ' HB ' ' A' ' 34' ' ' THR . . . -61.14 -26.35 67.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.826 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.56 96.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.101 0.477 . . . . 0.0 110.028 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 HD21 HD11 ' A' ' 94' ' ' LEU . 1.7 mm? -68.23 -31.78 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.068 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 31' ' ' ALA . 69.8 m -58.31 -45.94 87.1 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.07 -38.31 85.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.6 tpt -66.75 -40.6 88.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.413 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.7 tp -63.02 -40.8 98.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.104 176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' THR . 83.1 mm-40 -67.18 -23.31 65.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.041 177.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.602 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 46.7 m -75.46 -34.47 60.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 173.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -70.22 -34.81 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.899 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 60.5 t -46.91 -53.16 28.34 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.602 ' HD2' ' O ' ' A' ' 39' ' ' THR . 31.5 Cg_exo -58.52 -33.41 98.02 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.927 1.751 . . . . 0.0 112.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 47' ' ' VAL . 82.2 m-85 -72.24 -27.23 62.38 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.993 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.538 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 62.7 mtm180 -55.72 -47.74 76.36 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 120.622 0.249 . . . . 0.0 110.399 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.435 ' O ' HD23 ' A' ' 49' ' ' LEU . 12.4 m -52.63 -42.16 64.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.372 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.24 -39.81 86.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.688 0.756 . . . . 0.0 110.061 177.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 43' ' ' TYR . 73.0 t -63.56 -38.86 83.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.482 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 48.7 mt-10 -61.36 -43.09 99.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.978 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -61.26 -45.01 96.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.8 t -68.52 -36.13 78.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.788 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.87 -39.17 76.49 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.844 -176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 tp -81.94 -25.4 34.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.922 -175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -61.12 -44.57 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.035 -178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -109.41 -12.97 14.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.351 0.596 . . . . 0.0 110.787 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.16 -18.72 12.32 Favored Glycine 0 N--CA 1.454 -0.149 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.72 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.48 151.41 18.31 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.587 -0.816 . . . . 0.0 113.107 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.56 -2.43 22.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 123.136 0.574 . . . . 0.0 111.958 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 30.5 t70 -52.2 -30.22 26.18 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 26.3 p -90.01 -3.87 57.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -89.43 67.93 7.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.436 0.636 . . . . 0.0 111.056 -174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -102.85 137.6 40.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.514 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.83 108.95 2.47 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.718 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.39 -3.42 18.21 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.128 -177.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -135.47 167.03 21.83 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.682 -0.305 . . . . 0.0 110.703 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 55.92 37.42 28.83 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.25 -2.81 60.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.689 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 56.4 mt -87.29 128.68 54.36 Favored Pre-proline 0 N--CA 1.447 -0.587 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 31.2 Cg_exo -59.88 164.44 11.91 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.749 2.299 . . . . 0.0 112.34 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -84.37 147.93 51.29 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.471 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.456 ' HB3' ' HA ' ' A' ' 80' ' ' SER . 28.1 Cg_endo -62.71 124.55 14.31 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.85 1.7 . . . . 0.0 111.512 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 t -136.61 169.52 17.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.865 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.4 p -118.56 124.25 47.04 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.171 0.51 . . . . 0.0 110.518 -178.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.1 p -82.02 177.99 8.53 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.374 175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -53.58 -42.82 67.98 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -174.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.517 ' HB3' ' HG3' ' A' ' 92' ' ' GLU . 31.6 m-85 -92.53 -16.04 26.24 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.14 122.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 122.012 -0.43 . . . . 0.0 110.434 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.8 t -86.08 -31.02 22.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.978 -175.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -162.39 145.31 11.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.973 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.505 ' HA ' ' O ' ' A' ' 87' ' ' SER . 4.8 ppp? -170.19 142.78 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 123.725 0.64 . . . . 0.0 110.151 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' A' ' 70' ' ' PRO . 17.8 t -144.21 155.32 43.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.598 175.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 HG12 ' A' ' 86' ' ' VAL . 22.1 t -114.8 117.05 54.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.751 -178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.95 110.94 11.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.136 0.493 . . . . 0.0 110.31 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 31.4 mmtp 51.84 44.65 29.2 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.948 -178.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.41 -24.93 3.97 Favored Glycine 0 CA--C 1.521 0.465 0 CA-C-N 115.645 -0.707 . . . . 0.0 113.312 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.2 t -69.23 141.94 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 176.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.441 HG12 HG22 ' A' ' 81' ' ' VAL . 22.0 m -133.2 113.89 20.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.473 0.654 . . . . 0.0 110.487 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 79' ' ' MET . 21.1 t -104.12 123.02 46.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.812 177.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.59 158.19 22.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.128 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.469 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 15.9 m -144.8 146.04 31.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.681 0.276 . . . . 0.0 110.806 178.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.47 47.92 55.96 Favored Glycine 0 CA--C 1.518 0.228 0 CA-C-N 115.261 -0.881 . . . . 0.0 115.09 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.508 HE22 ' HG3' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -71.35 122.86 21.07 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 34.8 mt-10 43.03 -115.39 0.36 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -175.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.9 m -74.18 -13.65 60.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.459 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD11 HD21 ' A' ' 33' ' ' LEU . 58.6 mt -85.19 38.54 0.73 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.087 -171.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.47 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 7.6 p30 -55.16 139.15 42.87 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.84 -23.87 5.55 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.971 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 10.0 tt -80.22 132.4 35.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.8 m -114.8 132.36 56.5 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.184 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.79 126.36 64.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.4 t -121.23 105.43 16.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.524 ' O ' ' HD3' ' A' ' 103' ' ' PRO . 45.4 ttm -101.6 114.64 28.86 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.075 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.427 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 11.4 m -107.4 93.14 9.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.191 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 101' ' ' MET . 19.0 Cg_exo -65.81 145.75 81.53 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.588 2.192 . . . . 0.0 111.687 175.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 89.13 84.26 1.29 Allowed Glycine 0 N--CA 1.442 -0.918 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.642 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -76.91 -29.32 55.65 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -106.97 98.82 8.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.826 173.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -55.71 -35.24 65.89 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -172.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -76.74 -21.16 55.65 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.408 HD22 ' HA ' ' A' ' 109' ' ' ASN . 2.2 t-20 -110.58 21.95 15.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.376 0.608 . . . . 0.0 110.409 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.48 -127.35 41.9 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.896 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.8 m -83.0 72.83 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -172.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.5 p -78.64 -15.93 57.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.185 0.517 . . . . 0.0 111.06 174.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -172.24 -177.15 41.54 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.2 m-90 -132.97 122.8 24.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.943 0.371 . . . . 0.0 110.532 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.427 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -90.45 113.01 24.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 173.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 26.9 mtm180 -110.0 121.01 44.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.621 -175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -118.62 121.02 39.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.525 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 72.3 m -103.69 116.21 31.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -118.98 104.36 10.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.971 0.415 . . . . 0.0 110.837 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.1 tp -135.58 100.95 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.28 -38.29 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -167.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 t -89.7 -23.3 21.87 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -171.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -132.34 92.56 3.11 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -172.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.8 m -61.33 -27.59 68.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.708 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.68 76.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.068 0.461 . . . . 0.0 111.337 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.54 -32.94 70.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 109.833 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -63.44 -37.22 86.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.652 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -54.37 -36.15 63.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.293 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.407 ' HB2' ' HE ' ' A' ' 29' ' ' ARG . . . -75.17 -47.04 30.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 178.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.33 -52.16 24.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.029 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 29.4 tt0 -61.15 -25.85 67.29 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.509 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -60.71 -52.12 66.47 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.911 0.386 . . . . 0.0 110.62 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.64 -46.95 18.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.325 -178.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.477 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 96.0 m-85 -87.22 22.63 2.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.209 -176.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 16.0 ptp180 -50.59 147.25 4.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.593 -175.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -114.96 114.62 25.67 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.4 -174.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.81 138.4 57.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.861 177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -66.84 -20.21 65.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.745 -176.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.9 -18.22 51.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.767 176.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -90.37 -17.73 26.77 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.683 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.9 mt -81.26 -162.36 0.49 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.863 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.3 p -102.31 118.2 59.46 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.219 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.09 138.03 22.3 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.524 2.149 . . . . 0.0 111.904 -178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -102.67 108.13 19.28 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 100.66 87.98 1.99 Allowed Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -175.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.7 m -56.57 120.63 8.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.955 0.407 . . . . 0.0 111.422 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.61 -4.01 75.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.45 177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.68 90.87 4.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.712 0.292 . . . . 0.0 110.415 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.98 -27.39 60.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -83.28 94.2 7.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.448 173.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -82.1 113.32 19.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.088 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -152.95 -63.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 54.89 60.92 3.2 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.527 0.517 . . . . 0.0 112.388 176.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -162.63 103.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.006 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 10.4 p80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.291 179.772 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.534 0.207 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.84 -61.69 1.79 Allowed 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 55.42 76.29 0.28 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.981 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -62.03 -33.94 75.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 -174.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.1 -41.44 86.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.241 0.543 . . . . 0.0 110.06 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.3 ttm180 -66.94 -38.57 86.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.108 176.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.92 -44.41 86.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.127 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.55 74.81 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.811 0.301 . . . . 0.0 111.811 176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.06 81.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.459 0.647 . . . . 0.0 109.595 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 80.2 mt -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.79 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -69.59 -37.6 76.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.179 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.25 -46.6 83.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.311 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.429 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 20.1 ptm -67.09 -35.56 80.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.111 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.5 tp -63.56 -42.24 98.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.294 175.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -65.64 -22.95 66.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.403 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.568 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.8 m -73.83 -37.28 64.91 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.399 0.618 . . . . 0.0 109.919 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.467 ' CE2' ' HG2' ' A' ' 101' ' ' MET . 37.0 t80 -70.89 -34.34 71.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.233 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.0 t -47.23 -52.61 33.96 Favored Pre-proline 0 CA--C 1.543 0.695 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' A' ' 39' ' ' THR . 40.3 Cg_exo -58.32 -36.02 98.09 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 121.826 1.684 . . . . 0.0 112.39 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.466 ' O ' HG23 ' A' ' 47' ' ' VAL . 52.5 m-85 -68.51 -28.04 66.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.982 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.553 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 52.6 mtm180 -58.24 -46.24 86.29 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.496 ' O ' HD23 ' A' ' 49' ' ' LEU . 30.9 m -53.32 -44.1 68.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.454 173.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.71 -37.24 85.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.424 0.63 . . . . 0.0 110.183 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 43' ' ' TYR . 76.4 t -65.63 -45.21 92.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.98 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -62.0 -41.25 97.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.473 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -65.22 -41.77 94.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.417 ' SG ' HG23 ' A' ' 59' ' ' THR . 27.8 t -63.55 -50.65 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.991 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.15 -30.56 49.57 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.931 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -74.6 -26.47 59.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.999 0.428 . . . . 0.0 110.784 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -68.66 -46.38 69.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.969 -176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -110.29 -12.48 14.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.131 0.491 . . . . 0.0 111.298 -176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.47 -19.94 12.8 Favored Glycine 0 C--N 1.321 -0.253 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.057 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.37 159.68 18.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.321 -0.942 . . . . 0.0 113.215 165.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 103' ' ' PRO . 44.2 mt -74.04 -2.81 25.89 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.419 0.688 . . . . 0.0 112.329 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -49.99 -38.39 36.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 ' SG ' ' A' ' 50' ' ' CYS . 8.9 t -82.31 -3.21 54.91 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.482 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 36.7 m -97.72 60.8 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.273 0.558 . . . . 0.0 110.953 -174.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -110.96 143.15 42.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.987 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.32 118.54 11.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.235 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.84 16.62 47.58 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.411 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.8 t -135.1 147.05 49.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 54.55 38.5 29.91 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.12 -10.41 53.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.764 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 67.1 mt -71.67 131.55 86.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 45.7 Cg_exo -57.64 169.39 2.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.995 2.463 . . . . 0.0 112.866 -177.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.4 p -91.47 152.01 43.18 Favored Pre-proline 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.302 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -49.03 124.81 12.07 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.804 2.336 . . . . 0.0 111.646 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.9 t -143.31 171.35 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.973 -172.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.415 HG22 HG12 ' A' ' 76' ' ' VAL . 26.0 p -138.04 144.71 41.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.112 0.482 . . . . 0.0 110.837 -177.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.2 p -88.54 177.89 6.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 172.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -53.37 -41.81 66.23 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -171.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.4 25.06 10.07 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.133 -0.354 . . . . 0.0 111.799 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.417 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 93.3 t -116.88 131.82 68.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.02 0.438 . . . . 0.0 109.947 174.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 m -82.65 -52.28 6.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.741 -172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.46 140.15 9.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.86 -0.155 . . . . 0.0 110.87 -175.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 90.1 mtp -141.3 140.83 33.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.087 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 55.3 m -130.92 136.91 49.02 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.3 t -116.98 118.65 59.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -173.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.28 109.67 6.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.114 0.483 . . . . 0.0 110.117 -178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm 49.6 48.62 21.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.651 -1.158 . . . . 0.0 110.039 -178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.81 -24.38 3.87 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.468 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.16 130.69 35.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.6 m -127.91 120.12 53.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.551 0.691 . . . . 0.0 110.364 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 36.1 t -104.26 130.93 52.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.743 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.56 135.06 54.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.313 -0.858 . . . . 0.0 108.686 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.0 m -121.08 139.0 53.92 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.912 -173.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.66 46.51 30.57 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.244 -0.889 . . . . 0.0 113.861 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.505 HE21 ' HG2' ' A' ' 92' ' ' GLU . 32.1 tp60 -76.83 125.2 28.88 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.688 0.244 . . . . 0.0 110.903 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.505 ' HG2' HE21 ' A' ' 91' ' ' GLN . 17.5 mm-40 50.47 -125.11 2.22 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.532 0.333 . . . . 0.0 111.473 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -71.01 -13.81 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.385 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' ' 126' ' ' LEU . 53.5 mt -85.08 38.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.483 -172.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -53.38 132.38 39.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.653 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.67 -21.53 22.01 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.635 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.4 tt -86.28 130.94 34.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.005 0.431 . . . . 0.0 110.163 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.2 m -113.43 120.96 42.86 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.93 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 87' ' ' SER . 30.7 t -92.47 129.95 42.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -118.35 105.07 17.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.467 ' HG2' ' CE2' ' A' ' 40' ' ' PHE . 40.1 tpp -94.72 110.84 22.64 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 35.6 m -112.02 96.06 32.42 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.947 0.403 . . . . 0.0 110.957 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 101' ' ' MET . 16.5 Cg_exo -67.55 160.69 46.84 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.952 2.435 . . . . 0.0 112.098 176.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 85.84 22.44 49.62 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.898 175.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.578 ' NE1' ' HA ' ' A' ' 140' ' ' ASN . 38.8 t-105 -114.65 99.27 7.4 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.413 0.625 . . . . 0.0 110.247 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -147.05 130.81 16.99 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.098 -0.956 . . . . 0.0 108.777 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.441 HD22 ' N ' ' A' ' 107' ' ' ASN . 0.9 OUTLIER -69.45 -28.31 66.0 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.913 -172.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.77 -58.11 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -111.85 -30.04 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 107.76 -66.38 0.24 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.179 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -73.72 169.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 122.944 -0.15 . . . . 0.0 110.603 178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 6.9 m 58.13 55.34 5.23 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.779 0.799 . . . . 0.0 110.142 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -165.09 132.35 2.65 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.553 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 17.7 m-90 -121.01 123.22 41.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.226 0.513 . . . . 0.0 111.663 -175.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -89.26 113.63 24.89 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 136' ' ' PHE . 80.8 mtm180 -109.95 131.42 55.07 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.571 -174.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -144.49 132.61 21.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.84 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.2 m -104.96 116.44 31.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.922 175.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -105.36 103.83 13.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.9 tp -136.26 105.33 4.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.644 174.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -74.09 -40.65 62.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.4 t -108.82 15.42 23.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -170.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.496 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 9.8 m-20 -147.95 82.19 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.114 -0.366 . . . . 0.0 111.472 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 t -60.63 -31.47 70.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.119 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.45 96.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 0.0 111.17 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 94' ' ' LEU . 90.1 mt -67.81 -32.45 73.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.14 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.473 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 9.9 tt0 -65.32 -45.2 85.23 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.315 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -52.78 -41.22 63.9 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.234 0.334 . . . . 0.0 111.806 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.75 -46.97 33.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.084 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.35 -52.27 54.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.168 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 3.7 pt-20 -65.12 -23.65 67.2 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.862 -175.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.83 -43.08 76.28 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.778 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -83.33 -47.21 18.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-O 121.442 0.639 . . . . 0.0 111.172 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -87.01 26.27 1.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.875 0.87 . . . . 0.0 110.99 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 18.4 ptp180 -49.93 141.92 9.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.028 0.918 . . . . 0.0 113.256 -169.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' A' ' 116' ' ' ARG . 0.5 OUTLIER -95.05 111.71 23.49 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.49 -178.199 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.11 150.44 38.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.727 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -69.68 -9.25 53.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.141 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.81 36.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.44 . . . . 0.0 110.209 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.578 ' HA ' ' NE1' ' A' ' 105' ' ' TRP . 57.3 m-20 -86.98 -17.3 33.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.884 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.8 mt -92.27 -174.95 3.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.978 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -109.26 130.82 22.3 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.176 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -62.22 133.35 43.21 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.243 1.962 . . . . 0.0 111.541 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -121.48 132.29 54.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.162 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 77.17 91.53 0.26 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.605 -0.807 . . . . 0.0 111.893 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.6 m -68.7 121.01 15.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.743 0.306 . . . . 0.0 110.429 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.18 -32.24 6.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.286 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 81.5 mt -94.95 89.15 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.278 0.561 . . . . 0.0 110.352 -178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -97.8 -31.28 12.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.481 176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -99.55 126.53 45.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.394 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -81.72 105.54 12.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.118 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -138.8 -61.18 0.58 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.059 0.457 . . . . 0.0 109.97 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -97.32 62.99 1.79 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 34.2 m170 66.79 -162.33 0.24 Allowed 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.246 -176.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.763 -0.636 . . . . 0.0 109.577 -179.894 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.513 0.197 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 49.87 72.75 0.3 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.09 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -79.45 74.05 6.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.626 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -66.02 -36.08 82.31 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.93 -173.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.38 -40.74 81.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.052 0.453 . . . . 0.0 109.785 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.3 ttm180 -66.58 -38.83 87.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.925 174.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -56.97 -49.34 76.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.578 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.73 -38.52 75.46 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.559 0.219 . . . . 0.0 111.56 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.77 86.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 73.5 mt -68.28 -38.97 82.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.088 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.549 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 34.5 m -65.25 -38.76 91.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.113 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -67.67 -39.53 84.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.17 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.7 tpt -61.52 -41.91 98.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.812 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 41' ' ' VAL . 1.3 tm? -62.63 -47.24 84.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.594 177.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 34' ' ' THR . 27.1 mm-40 -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.326 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.6 m -75.42 -28.45 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.35 0.595 . . . . 0.0 110.7 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.597 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 9.3 t80 -71.1 -34.89 71.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.232 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.6 t -53.72 -48.61 92.77 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.527 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 64.9 Cg_exo -53.33 -28.97 45.65 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.319 2.013 . . . . 0.0 113.087 173.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -75.69 -39.8 56.88 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.594 0.711 . . . . 0.0 109.147 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 18.4 mmm180 -60.28 -40.87 91.95 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.873 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 49' ' ' LEU . 26.1 m -51.64 -42.18 61.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 177.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.73 92.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.594 0.711 . . . . 0.0 110.295 177.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -72.76 -40.05 60.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 70.1 mm-40 -66.61 -34.75 78.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.944 0.402 . . . . 0.0 110.28 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 45' ' ' THR . 2.9 mm? -66.18 -45.37 81.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.808 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 p -70.0 -36.13 74.9 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.208 -0.597 . . . . 0.0 109.729 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.79 65.19 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.483 173.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.19 -31.42 38.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.37 -33.99 76.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.983 -176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -108.97 -12.95 14.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.4 0.619 . . . . 0.0 110.317 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.24 -19.42 5.6 Favored Glycine 0 CA--C 1.52 0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.828 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -120.26 151.5 17.24 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.215 162.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mp -73.75 -2.19 22.34 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.772 0.429 . . . . 0.0 111.598 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 20.2 t70 -48.1 -35.26 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.2 t -76.22 -10.6 59.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -93.38 69.25 4.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.375 0.607 . . . . 0.0 110.846 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -100.27 131.3 46.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.398 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.69 88.18 0.36 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.372 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.67 -1.61 4.37 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.468 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.1 m -140.65 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.901 0.351 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 54.67 39.3 31.18 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.21 -16.89 20.62 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 44.7 mm -80.73 121.45 81.13 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -77.03 149.48 28.75 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.051 1.834 . . . . 0.0 112.265 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.6 m -45.55 136.95 5.62 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.412 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HG3' ' HA ' ' A' ' 80' ' ' SER . 9.1 Cg_endo -50.17 123.7 11.5 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.264 2.643 . . . . 0.0 112.515 -172.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.6 p -95.04 128.58 41.98 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.305 -175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.41 HG22 HG12 ' A' ' 76' ' ' VAL . 22.2 p -103.28 127.08 50.71 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.219 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.555 ' OG1' HG23 ' A' ' 76' ' ' VAL . 28.4 p -80.14 177.44 8.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.301 177.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.604 ' H ' ' HD3' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -53.84 -35.14 61.15 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 179.501 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -95.71 -14.92 23.0 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.555 HG23 ' OG1' ' A' ' 73' ' ' THR . 88.7 t -81.46 122.92 37.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.475 0.655 . . . . 0.0 110.219 -177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -86.32 -43.35 12.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.299 -171.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -168.94 139.69 2.39 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 111.221 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.4 ptm -165.9 140.59 4.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.827 178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.518 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 37.2 m -131.14 149.79 52.43 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.1 t -118.03 114.59 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.4 109.28 10.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.034 0.445 . . . . 0.0 109.959 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 72.5 mmtt 51.37 43.11 29.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.852 -176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.13 -24.2 4.85 Favored Glycine 0 CA--C 1.522 0.487 0 CA-C-N 115.831 -0.622 . . . . 0.0 113.421 -178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.79 137.17 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 80' ' ' SER . 59.5 t -134.12 115.15 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.979 0.418 . . . . 0.0 110.204 -173.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 13.9 m -103.0 122.55 44.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.754 176.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mp -115.54 119.4 36.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.175 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.0 m -114.82 143.7 44.68 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.915 0.388 . . . . 0.0 111.881 -172.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 49.5 44.39 36.81 Favored Glycine 0 C--N 1.333 0.386 0 CA-C-N 114.982 -1.008 . . . . 0.0 114.111 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -86.5 127.44 34.87 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 60.74 -139.4 0.57 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.4 m -65.9 -13.15 59.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.872 0.367 . . . . 0.0 111.474 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.6 mt -82.11 39.1 0.56 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.164 -171.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.414 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 54.5 t30 -55.36 135.89 49.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.767 176.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.33 -15.65 33.36 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.716 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -91.33 137.3 32.47 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -123.63 121.24 35.04 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.843 0.354 . . . . 0.0 110.094 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 87' ' ' SER . 50.4 t -91.34 130.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.45 103.62 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.597 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 17.2 ttt -96.02 110.38 22.62 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.283 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.0 m -107.53 94.2 11.4 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.294 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 114' ' ' TRP . 81.8 Cg_endo -77.88 162.41 29.49 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.402 2.735 . . . . 0.0 113.514 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.3 -174.86 16.09 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.217 174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 49.3 p-90 -119.78 129.72 54.6 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -147.44 115.94 6.67 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.997 0.427 . . . . 0.0 110.633 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.66 -32.8 72.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.663 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -74.77 -47.3 31.75 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -85.35 -15.06 44.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.293 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 80.45 35.21 26.73 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.193 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.48 134.72 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.664 0.269 . . . . 0.0 110.318 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.0 m -141.04 87.74 2.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.303 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.04 -85.3 0.62 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.068 178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.501 ' HB3' ' HE2' ' A' ' 101' ' ' MET . 19.8 m-90 -142.35 122.07 13.44 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.29 112.8 24.45 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.411 ' O ' ' HB3' ' A' ' 136' ' ' PHE . 87.0 mtm180 -110.42 131.92 54.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.977 -177.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 16.7 t-20 -142.03 134.05 27.45 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.655 -177.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 85.0 m -102.79 116.08 31.87 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -107.24 104.4 14.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.883 0.373 . . . . 0.0 110.503 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.495 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 6.1 tp -136.17 102.08 2.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.356 0.598 . . . . 0.0 109.583 174.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -73.55 -38.37 65.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -167.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.9 p -99.99 -2.98 33.13 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -171.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.495 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.4 m-20 -139.84 83.53 1.93 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.737 -171.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 m -60.6 -28.42 68.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.833 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.38 -37.37 85.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.938 0.399 . . . . 0.0 111.143 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 94' ' ' LEU . 86.3 mt -70.36 -35.65 73.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.161 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -62.26 -43.12 99.55 Favored 'General case' 0 C--O 1.216 -0.674 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.814 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.87 -50.39 63.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.968 0.413 . . . . 0.0 110.386 -176.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.52 -40.32 70.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.348 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 44.5 t -67.72 -47.46 69.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.756 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.85 -25.47 65.06 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.484 0.714 . . . . 0.0 110.884 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -69.21 -50.84 43.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.008 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.7 -47.93 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.46 0.648 . . . . 0.0 111.586 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.448 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.6 m-85 -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 123.858 0.863 . . . . 0.0 110.856 -176.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 135' ' ' ARG . 13.1 ptt-85 -48.45 150.4 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.864 -1.062 . . . . 0.0 113.285 -173.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.616 ' HB2' HD21 ' A' ' 141' ' ' LEU . 0.9 OUTLIER -91.46 110.45 21.76 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.429 171.198 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -69.11 142.97 54.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.843 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.58 -20.93 61.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.094 -172.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -74.35 -17.65 60.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.26 0.553 . . . . 0.0 110.488 178.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -108.58 15.32 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.592 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.616 HD21 ' HB2' ' A' ' 136' ' ' PHE . 41.4 mt -110.02 -179.6 3.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.179 -177.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.1 t -105.26 119.15 53.94 Favored Pre-proline 0 N--CA 1.448 -0.573 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.943 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.93 133.05 29.97 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.147 1.898 . . . . 0.0 112.332 -175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -96.05 109.04 21.51 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.87 88.11 1.93 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -174.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 26.9 m -108.77 161.43 15.11 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.45 27.49 54.75 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.188 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.3 mt -101.63 91.41 4.42 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -83.18 -20.03 35.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.102 0.477 . . . . 0.0 109.927 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -78.66 73.87 5.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.401 ' H ' ' CD2' ' A' ' 151' ' ' HIS . 5.7 p80 -80.98 141.26 34.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.008 -174.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -93.57 60.63 3.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.18 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -95.78 -5.35 42.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.133 0.492 . . . . 0.0 109.804 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 64.04 41.51 6.38 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.692 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 . . . . . 0 C--O 1.244 0.799 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.701 179.037 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.548 0.213 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.24 78.16 8.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.038 0.447 . . . . 0.0 110.215 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.48 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 16.1 m120 -136.52 32.69 2.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.078 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -60.17 -38.51 83.42 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.592 -175.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.32 -46.37 90.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 0.0 110.186 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.571 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.4 ttp180 -67.85 -36.3 80.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.773 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 95.3 mttt -59.73 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.29 -37.66 72.76 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.42 95.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.43 0.633 . . . . 0.0 109.708 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 59.6 mt -68.73 -31.95 71.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.888 176.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 76.5 m -65.11 -42.61 93.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.233 177.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.38 -36.52 84.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.0 0.428 . . . . 0.0 110.395 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' HG22 ' A' ' 76' ' ' VAL . 14.1 tpt -65.79 -41.86 91.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.051 175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -60.0 -42.87 95.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.199 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 33.2 mm-40 -61.29 -34.28 74.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.077 178.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.613 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.2 m -74.97 -29.55 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.194 0.521 . . . . 0.0 110.669 178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 26.2 t80 -70.32 -33.7 71.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.597 176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.561 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.1 t -45.95 -52.63 25.19 Favored Pre-proline 0 CA--C 1.544 0.727 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' A' ' 39' ' ' THR . 42.7 Cg_exo -56.79 -42.9 59.87 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 121.773 1.649 . . . . 0.0 112.342 176.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 47' ' ' VAL . 58.3 m-85 -58.63 -36.62 74.36 Favored 'General case' 0 C--O 1.224 -0.26 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 177.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -55.75 -51.29 67.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.629 0.252 . . . . 0.0 111.011 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.468 ' O ' HD23 ' A' ' 49' ' ' LEU . 33.2 m -52.29 -43.57 64.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.33 175.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -37.96 87.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.077 0.465 . . . . 0.0 110.58 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 43' ' ' TYR . 70.6 t -64.58 -39.48 85.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.462 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -67.38 -38.13 84.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.006 0.432 . . . . 0.0 110.205 177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -67.11 -45.68 76.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.502 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 27.6 p -72.06 -23.54 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.45 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 57' ' ' LEU . . . -71.07 -45.74 63.22 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.5 tp -72.45 -27.61 62.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.585 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.54 -46.68 88.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -108.83 -12.65 14.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.437 0.637 . . . . 0.0 110.647 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.22 -20.07 3.36 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.193 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.09 145.24 18.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.262 -0.97 . . . . 0.0 112.818 163.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 51' ' ' ALA . 36.0 mt -73.84 -3.07 26.46 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.796 0.438 . . . . 0.0 111.567 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 7.8 m-20 -48.53 -35.0 12.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.234 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.58 1.23 55.64 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 37.3 t -97.06 70.11 2.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.458 0.647 . . . . 0.0 109.481 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.511 ' OD1' ' HA ' ' A' ' 82' ' ' ALA . 17.7 t70 -114.01 147.29 38.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.077 -176.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA3' ' HD3' ' A' ' 70' ' ' PRO . . . -63.82 103.55 0.72 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 116.077 -0.511 . . . . 0.0 113.082 -175.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.08 17.69 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.07 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.6 p -143.14 161.13 39.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.025 0.413 . . . . 0.0 110.402 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 53.55 33.0 15.3 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 177.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.75 5.24 86.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.873 178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.14 126.18 70.56 Favored Pre-proline 0 N--CA 1.449 -0.475 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.38 163.34 12.72 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.643 2.229 . . . . 0.0 112.937 -175.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -87.26 128.99 53.24 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.053 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 62' ' ' GLY . 12.1 Cg_endo -54.05 125.7 19.63 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.123 2.548 . . . . 0.0 112.113 -175.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -143.19 -177.67 5.47 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.037 -177.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.567 HG22 HG12 ' A' ' 76' ' ' VAL . 36.5 p -131.22 125.93 34.22 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.207 0.527 . . . . 0.0 111.282 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.6 p -81.17 178.37 8.44 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 171.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.7 tpt180 -52.97 -43.51 66.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -171.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -102.06 27.83 6.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.567 HG12 HG22 ' A' ' 72' ' ' THR . 91.1 t -115.69 129.91 71.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 171.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.1 m -88.08 -44.8 10.68 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.17 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.05 149.81 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 10.4 ptp -163.3 143.24 8.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.985 0.421 . . . . 0.0 110.706 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.5 m -135.77 134.66 39.21 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.809 174.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -103.25 116.58 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.511 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . . . -132.85 110.59 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 30.0 mmtp 52.91 44.44 30.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.83 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.44 -24.7 3.53 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.089 -177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 56.0 t -66.45 142.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.67 109.5 17.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 t -104.86 127.76 52.8 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.026 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.84 148.97 37.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.116 -178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.4 m -123.65 128.78 50.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.979 0.419 . . . . 0.0 111.434 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 51.24 48.06 48.34 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.011 -0.995 . . . . 0.0 114.011 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.427 HE21 ' HG2' ' A' ' 92' ' ' GLU . 29.6 tp60 -72.58 126.16 29.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.695 0.283 . . . . 0.0 110.621 -177.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.427 ' HG2' HE21 ' A' ' 91' ' ' GLN . 19.6 mm-40 55.76 -138.39 1.04 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -64.48 -13.92 54.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.413 . . . . 0.0 111.405 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.52 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 53.0 mt -83.29 38.88 0.63 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 110.502 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -54.75 137.45 44.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.194 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.91 -25.49 9.79 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.817 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 118' ' ' CYS . 51.1 tp -75.04 125.7 29.47 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.897 0.38 . . . . 0.0 111.127 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.3 t -101.33 111.96 24.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.629 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.521 HG22 ' SG ' ' A' ' 118' ' ' CYS . 31.9 t -99.11 122.46 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 44.5 t -114.74 102.55 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.956 0.407 . . . . 0.0 110.209 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 40' ' ' PHE . 57.2 tpp -86.03 110.53 19.56 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.2 m -112.9 98.78 46.43 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.374 -173.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.46 129.16 15.4 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.292 1.995 . . . . 0.0 110.784 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.41 156.26 6.65 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.132 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -154.44 -62.59 0.13 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.493 0.663 . . . . 0.0 109.417 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -140.88 123.07 15.7 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -56.21 -36.86 68.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.003 -171.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.07 -50.21 7.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -80.88 -26.32 36.96 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -172.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -111.91 124.19 6.69 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.602 -174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.6 p -140.33 25.3 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.344 1.068 . . . . 0.0 108.864 176.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.8 t -90.8 -10.47 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.771 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.7 -94.69 2.0 Allowed Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.574 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.5 m-90 -102.84 129.17 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 111.614 -174.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -99.75 133.39 44.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.397 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 3.2 mpt_? -109.88 139.16 45.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.201 -176.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -144.38 112.96 6.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.479 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.554 ' HB3' HD11 ' A' ' 97' ' ' LEU . 3.7 m -103.94 116.58 32.52 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.3 102.89 12.26 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.812 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.418 ' HB ' HD13 ' A' ' 97' ' ' LEU . 6.5 tp -138.08 100.67 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.326 0.584 . . . . 0.0 109.643 173.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.446 ' CD ' ' H ' ' A' ' 121' ' ' GLN . 0.0 OUTLIER -73.44 -38.6 65.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -169.396 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 50.7 p -87.89 -23.08 24.05 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.76 84.25 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.7 0.286 . . . . 0.0 111.701 -170.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.558 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 64.9 m -60.66 -22.59 64.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.92 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.68 75.8 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 94' ' ' LEU . 49.9 mt -68.6 -38.17 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -65.01 -38.68 91.73 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.15 175.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 124' ' ' SER . 87.2 mm-40 -55.22 -44.08 75.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.266 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.6 -43.28 73.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.862 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 1.7 t -62.86 -44.86 95.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.54 177.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 25.9 tt0 -55.75 -27.79 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.524 -178.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -72.98 -55.57 6.36 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.583 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.9 t -85.43 -49.49 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.645 0.736 . . . . 0.0 111.698 -175.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.465 ' HB2' ' SG ' ' A' ' 130' ' ' CYS . 87.4 m-85 -87.13 24.7 1.5 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.251 -177.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 23.5 ptt180 -48.89 139.64 9.82 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.099 -0.955 . . . . 0.0 111.985 -173.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.406 ' CD2' HD11 ' A' ' 141' ' ' LEU . 0.2 OUTLIER -99.98 119.6 38.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.435 -176.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.51 128.89 38.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.516 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -60.07 -18.78 49.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.364 -176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.22 -21.19 66.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.063 0.459 . . . . 0.0 111.113 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -89.1 -19.03 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.362 0.601 . . . . 0.0 110.097 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.406 HD11 ' CD2' ' A' ' 136' ' ' PHE . 59.0 mt -112.26 93.4 4.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.873 -174.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.46 124.02 81.1 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.42 133.7 21.28 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.386 2.057 . . . . 0.0 111.889 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -116.31 100.26 7.77 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 99.68 179.38 30.75 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.75 -175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.3 p -102.1 121.33 41.99 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.725 0.297 . . . . 0.0 111.186 -176.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 89.51 -5.95 83.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.85 -0.69 . . . . 0.0 113.311 174.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.95 90.12 8.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.233 0.54 . . . . 0.0 110.695 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.13 -33.35 20.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.662 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -64.29 102.28 0.51 Allowed 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.118 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -84.2 125.21 31.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.403 -178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -85.8 123.71 31.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.756 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -55.94 115.5 2.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.243 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -87.74 144.26 26.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.343 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 78.4 m80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.463 -0.78 . . . . 0.0 109.82 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.2 ptm . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.96 0.409 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -118.24 110.31 17.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.27 -0.269 . . . . 0.0 110.376 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 90.4 m-20 59.49 35.41 22.81 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.006 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -58.44 -49.13 78.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.918 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.33 -37.6 87.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.003 0.43 . . . . 0.0 110.741 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 38.8 ttm180 -67.56 -34.0 76.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.677 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 31.2 mmtp -55.28 -50.31 69.87 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.204 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.81 95.78 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.349 177.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 36' ' ' MET . . . -59.73 -45.23 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.219 0.533 . . . . 0.0 110.552 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 78.1 mt -65.74 -34.0 77.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.9 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -67.71 -36.99 81.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.264 176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -67.4 -39.77 85.56 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.115 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.3 mmm -62.89 -40.75 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.88 177.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HG23 ' A' ' 41' ' ' VAL . 28.7 tp -63.47 -45.3 91.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.398 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.33 -30.96 71.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.46 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.614 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 40.5 m -75.35 -31.08 60.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 110.485 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 45.9 t80 -71.12 -34.33 70.96 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.865 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 57.4 t -46.24 -52.84 25.99 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.614 ' HD2' ' O ' ' A' ' 39' ' ' THR . 32.9 Cg_exo -58.61 -30.24 91.5 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 121.889 1.726 . . . . 0.0 112.936 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -75.15 -26.06 58.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.687 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.6 mtm180 -59.65 -35.87 75.27 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.347 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' HD23 ' A' ' 49' ' ' LEU . 14.5 m -51.01 -36.99 42.39 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.794 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.52 90.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.675 0.75 . . . . 0.0 110.312 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -72.08 -42.88 67.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.333 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 45.0 mm-40 -65.03 -41.65 95.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.788 -177.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -61.14 -40.02 92.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.908 0.385 . . . . 0.0 110.637 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.7 t -62.23 -49.03 77.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.102 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.525 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -62.16 -20.48 64.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.001 177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 85.4 mt -82.85 -50.28 8.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.238 . . . . 0.0 111.486 178.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.27 -36.61 63.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.27 -171.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -103.0 -12.98 17.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.269 0.557 . . . . 0.0 110.405 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.0 -21.07 0.2 Allowed Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.99 -1.005 . . . . 0.0 114.376 177.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.02 144.54 16.17 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 119.442 -1.361 . . . . 0.0 113.162 164.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.711 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 4.1 mt -75.06 -5.25 43.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 111.163 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 9.0 m-20 -57.45 -32.19 66.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.147 -178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.7 p -83.91 -7.97 59.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.209 0.528 . . . . 0.0 111.419 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.711 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 56.1 m -86.61 67.28 9.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.334 0.588 . . . . 0.0 110.967 -172.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -109.43 140.45 43.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.5 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.15 118.22 12.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.969 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.64 4.2 43.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.716 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.4 p -145.36 168.11 21.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.98 0.39 . . . . 0.0 110.947 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 54.66 37.02 27.45 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.881 0.472 . . . . 0.0 112.157 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.19 -8.12 72.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.936 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mt -85.6 131.09 48.67 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.84 168.07 4.73 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.848 2.365 . . . . 0.0 112.477 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 m -73.61 139.57 77.84 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.025 -176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -61.58 123.32 12.5 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.096 1.864 . . . . 0.0 110.818 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.6 p -145.35 -177.47 5.57 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.069 -175.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 23.4 p -131.38 127.16 36.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.191 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.0 p -71.7 177.34 4.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.334 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -54.51 -43.28 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.45 -17.1 26.28 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 55.2 t -81.67 131.2 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.042 0.448 . . . . 0.0 110.091 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 t -90.31 -40.32 12.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.015 -172.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.35 143.94 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.203 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.495 ' HA ' ' O ' ' A' ' 87' ' ' SER . 10.4 ptp -164.55 140.37 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.131 0.491 . . . . 0.0 110.422 176.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.566 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 20.3 m -131.37 141.76 49.94 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.395 177.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -109.13 119.84 59.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.73 109.37 7.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.071 0.462 . . . . 0.0 110.028 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.0 mmtp 53.93 39.72 30.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.906 -178.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.15 -24.44 5.41 Favored Glycine 0 CA--C 1.523 0.579 0 CA-C-N 115.84 -0.618 . . . . 0.0 113.067 -175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 101' ' ' MET . 40.3 t -70.79 132.7 32.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.566 ' HA ' ' O ' ' A' ' 80' ' ' SER . 35.3 m -129.04 122.78 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.46 0.647 . . . . 0.0 110.6 -175.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.2 m -103.78 125.06 49.97 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.057 176.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.68 116.91 28.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.299 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.2 m -106.75 144.06 33.95 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.881 0.372 . . . . 0.0 111.352 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 50.13 46.05 42.8 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.133 -0.94 . . . . 0.0 114.008 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 27.7 tp60 -83.81 126.0 32.51 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HB3' ' H ' ' A' ' 93' ' ' SER . 19.2 mm-40 57.48 -143.47 0.68 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.89 -0.141 . . . . 0.0 110.734 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.439 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 17.8 t -63.15 -13.04 32.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.398 178.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 60.0 mt -79.98 38.42 0.4 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.022 0.439 . . . . 0.0 110.925 -174.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.437 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 58.0 t30 -52.59 132.65 35.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.576 175.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.27 -22.25 20.53 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 121.354 -0.45 . . . . 0.0 112.504 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.0 tt -86.28 133.5 33.82 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.851 0.357 . . . . 0.0 110.236 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m -112.32 118.81 36.26 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.399 175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.09 126.62 42.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -120.57 114.03 42.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.036 0.446 . . . . 0.0 110.232 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.53 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 52.7 ttp -99.77 114.89 28.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.638 174.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 m -108.74 93.1 11.48 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.542 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 29.9 Cg_endo -66.69 129.99 22.36 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 121.873 1.715 . . . . 0.0 111.239 172.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.441 ' O ' ' HB3' ' A' ' 105' ' ' TRP . . . 94.81 176.17 38.24 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 -177.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.441 ' HB3' ' O ' ' A' ' 104' ' ' GLY . 39.3 t90 71.82 -40.68 0.48 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 122.953 0.501 . . . . 0.0 110.512 -175.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.414 ' H ' ' C ' ' A' ' 104' ' ' GLY . 7.0 p-10 -73.49 -12.18 60.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.486 0.66 . . . . 0.0 109.559 174.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -57.91 -41.14 82.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.672 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.45 -7.16 48.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.091 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -108.9 15.73 23.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.104 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 71.47 3.15 52.86 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 114.51 0.564 . . . . 0.0 114.51 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.9 m -111.54 21.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 117.322 0.561 . . . . 0.0 110.437 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.2 m -27.94 108.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 124.915 1.384 . . . . 0.0 114.244 -174.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.43 -101.81 0.17 Allowed Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.128 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 9.6 m-90 -129.35 124.28 33.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.443 ' HB1' ' OD1' ' A' ' 140' ' ' ASN . . . -89.97 135.71 33.48 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.471 ' HB3' ' O ' ' A' ' 134' ' ' PHE . 29.6 mmt180 -114.0 141.19 47.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.006 0.432 . . . . 0.0 111.931 -175.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -145.69 137.84 25.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.462 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 76.7 m -114.92 115.04 26.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -109.52 103.37 12.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.533 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 127' ' ' GLN . 5.6 tp -138.08 96.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.221 173.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -75.17 -26.77 59.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -166.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.5 p -100.33 -10.45 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.418 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 5.8 m-20 -138.19 85.44 2.1 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.135 -0.353 . . . . 0.0 111.628 -170.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.6 m -61.05 -26.74 67.84 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.22 93.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.003 0.43 . . . . 0.0 111.031 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.59 -37.13 79.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.139 0.495 . . . . 0.0 109.79 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 120' ' ' ILE . 34.8 tt0 -62.06 -42.77 99.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.129 176.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -54.34 -41.73 69.41 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.676 0.61 . . . . 0.0 111.209 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.88 -45.41 43.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.858 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 47.6 t -64.56 -46.05 84.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -60.77 -22.39 64.02 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.79 -53.32 28.06 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.153 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.0 t -84.17 -48.17 17.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.342 0.592 . . . . 0.0 111.134 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 97.6 m-85 -89.25 26.35 1.66 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.781 -176.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -46.67 136.34 7.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.148 -0.933 . . . . 0.0 113.127 -172.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -81.41 130.53 35.08 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.801 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.08 157.83 32.47 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.89 -14.53 15.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.704 0.288 . . . . 0.0 111.182 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -63.31 -36.11 82.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.814 174.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.443 ' OD1' ' HB1' ' A' ' 115' ' ' ALA . 5.1 m-20 -93.84 12.51 25.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.8 mt -119.29 161.07 21.04 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.732 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.0 p -101.53 128.75 28.3 Favored Pre-proline 0 C--N 1.317 -0.818 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.63 132.44 50.33 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.97 1.78 . . . . 0.0 110.701 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -116.55 114.35 24.03 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -62.72 157.23 38.62 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.544 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.1 p -88.15 115.76 25.86 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.381 -0.527 . . . . 0.0 109.878 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.6 -35.91 1.39 Allowed Glycine 0 CA--C 1.521 0.419 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.373 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.5 mt -105.25 90.37 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.308 0.243 . . . . 0.0 110.772 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -109.21 -47.77 3.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.101 0.477 . . . . 0.0 110.168 174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -114.83 100.26 8.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.583 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 29.7 p-80 -87.26 131.58 34.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.091 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 -120.94 -56.69 1.92 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.446 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -149.75 147.02 27.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.575 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 70.65 96.43 0.07 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 123.806 0.691 . . . . 0.0 110.737 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.592 176.833 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 N--CA 1.484 1.239 0 CA-C-O 120.99 0.424 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -76.34 65.03 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.723 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 91.1 m-20 -123.0 15.8 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.341 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -59.5 -49.73 76.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.897 -172.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.6 mt -69.16 -38.65 78.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 93' ' ' SER . 20.1 ttp180 -65.85 -32.74 74.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.547 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 67.8 mttm -58.02 -49.49 76.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.406 176.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.17 -36.9 85.57 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.92 98.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.301 0.572 . . . . 0.0 110.028 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.55 -40.46 80.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.289 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 59.4 m -63.83 -41.05 97.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.577 178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.15 -36.08 77.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.531 ' SD ' HG22 ' A' ' 76' ' ' VAL . 11.2 tpt -64.14 -43.0 96.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.986 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.28 -38.36 83.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 0.0 110.103 176.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 34' ' ' THR . 32.7 mm-40 -68.15 -29.92 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.79 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.636 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 25.7 m -75.27 -29.81 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 110.266 176.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 101' ' ' MET . 24.1 t80 -66.79 -33.71 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.691 176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.604 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 76.3 t -47.61 -54.37 23.33 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.636 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.5 Cg_exo -55.77 -30.25 75.37 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.128 1.886 . . . . 0.0 113.078 175.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -74.64 -33.16 62.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.313 0.578 . . . . 0.0 109.634 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 47.4 mtm180 -59.76 -39.38 84.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.518 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.463 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 24.8 m -53.73 -38.48 64.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.392 0.433 . . . . 0.0 111.457 176.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.22 -39.12 78.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.433 0.635 . . . . 0.0 109.989 175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.627 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 92.5 t -62.1 -39.24 83.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.788 176.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 5.8 mm-40 -58.12 -40.72 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.598 . . . . 0.0 109.827 178.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 45' ' ' THR . 86.2 mt -65.0 -45.99 83.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.059 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 19.9 p -77.7 -24.78 49.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.221 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -45.93 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.009 0.433 . . . . 0.0 110.773 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -79.74 -15.58 57.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.023 -174.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.71 -44.74 96.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.488 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -109.38 -13.47 14.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.198 0.523 . . . . 0.0 110.434 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.33 -20.11 11.73 Favored Glycine 0 CA--C 1.516 0.155 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.22 161.27 12.78 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.103 -0.549 . . . . 0.0 111.747 160.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 103' ' ' PRO . 73.2 mt -73.44 -3.79 29.64 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.509 0.324 . . . . 0.0 111.867 -177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 24.1 t70 -50.05 -36.17 27.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 20.7 p -88.49 15.22 8.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.491 ' HA ' ' CD1' ' A' ' 67' ' ' ILE . 32.4 t -116.07 74.61 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.306 0.574 . . . . 0.0 111.386 -177.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.442 ' HB2' ' OG ' ' A' ' 64' ' ' SER . 13.7 m-20 -121.42 137.32 54.76 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.86 109.19 2.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.16 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.65 3.02 28.89 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.882 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 61' ' ' ASP . 88.7 p -127.35 158.71 36.53 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 53.84 30.08 10.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.76 9.61 70.43 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.851 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 60' ' ' CYS . 76.9 mt -77.29 131.03 73.0 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.18 169.95 2.56 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.899 2.399 . . . . 0.0 112.616 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.1 t -91.72 138.66 24.94 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.417 ' HB3' HG23 ' A' ' 81' ' ' VAL . 10.8 Cg_endo -54.45 123.76 14.41 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.413 2.075 . . . . 0.0 111.558 -178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 t -112.59 170.22 8.34 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.588 -176.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 67.2 p -131.88 125.51 31.92 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-O 120.699 0.285 . . . . 0.0 110.251 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 p -78.96 178.08 8.28 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -53.42 -44.09 68.5 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -172.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -84.3 -5.42 59.26 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG13 HE22 ' A' ' 91' ' ' GLN . 58.5 t -95.13 119.73 43.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.218 0.533 . . . . 0.0 110.38 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 m -78.56 -47.76 16.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.697 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -167.88 152.71 6.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.522 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 ptm -172.47 141.05 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.667 0.605 . . . . 0.0 110.433 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.577 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 21.5 m -131.14 138.68 49.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.103 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 70' ' ' PRO . 47.2 t -97.19 114.48 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.704 -177.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' O ' ' HB ' ' A' ' 85' ' ' VAL . . . -131.47 110.21 10.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.087 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 73.6 mmtt 49.85 46.75 23.88 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.167 -175.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' HA3' HD22 ' A' ' 57' ' ' LEU . . . 76.25 -24.91 1.65 Allowed Glycine 0 N--CA 1.465 0.59 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.064 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.503 HG22 HG23 ' A' ' 102' ' ' THR . 54.3 t -66.44 141.03 18.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 173.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 80' ' ' SER . 30.3 m -129.88 118.94 46.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.496 0.665 . . . . 0.0 109.609 -178.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.4 m -101.37 123.77 45.98 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.19 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mp -113.82 148.79 35.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.302 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.2 m -131.61 128.19 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.42 -176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 55.48 46.65 80.21 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.386 -0.825 . . . . 0.0 113.052 178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.607 HE22 HG13 ' A' ' 76' ' ' VAL . 6.3 tp-100 -70.27 125.81 27.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.4 0.143 . . . . 0.0 110.627 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 50.07 -122.42 1.83 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.414 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.458 ' HB2' ' HD3' ' A' ' 29' ' ' ARG . 6.9 m -74.76 -12.79 60.49 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.735 0.414 . . . . 0.0 111.689 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 75.8 mt -83.05 39.87 0.67 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.038 -171.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -56.02 136.26 52.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.3 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.16 -12.91 52.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.551 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.472 ' HA ' ' O ' ' A' ' 119' ' ' ASN . 8.4 tt -99.6 131.09 45.83 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.7 t -110.95 128.4 55.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.963 0.411 . . . . 0.0 109.962 177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.38 128.81 57.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.574 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.4 t -114.34 102.93 14.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.591 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 43.6 tpp -93.94 111.89 23.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.198 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.503 HG23 HG22 ' A' ' 85' ' ' VAL . 87.3 m -112.96 99.23 47.97 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.437 ' HB2' HD11 ' A' ' 57' ' ' LEU . 31.7 Cg_exo -58.05 134.48 62.43 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 122.46 2.106 . . . . 0.0 111.298 174.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.06 106.31 2.96 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.493 -176.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -76.51 149.85 36.68 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -146.28 138.11 24.9 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -69.28 -43.56 73.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.65 -34.12 21.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.045 0.45 . . . . 0.0 111.823 -175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -103.82 -4.05 24.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.026 -172.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.66 -62.7 2.75 Favored Glycine 0 CA--C 1.516 0.155 0 C-N-CA 120.571 -0.824 . . . . 0.0 111.594 -173.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.0 p -141.99 130.58 22.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 10.2 t -92.82 -15.03 26.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.29 -156.52 24.02 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.2 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.488 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 26.8 m-90 -126.19 123.89 39.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.261 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 141' ' ' LEU . . . -89.65 121.83 32.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.825 178.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.591 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 1.2 mpt_? -109.13 150.29 28.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.04 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -145.43 118.32 8.75 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 79.1 m -102.65 116.37 32.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 32.6 m-80 -110.59 103.16 11.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.028 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 120' ' ' ILE . 6.0 tp -137.0 96.77 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.381 0.61 . . . . 0.0 109.747 173.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -73.17 -36.37 66.58 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.2 m -99.44 15.48 26.26 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -170.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.534 ' OD2' ' HG ' ' A' ' 126' ' ' LEU . 18.0 t70 -161.8 99.52 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.366 -0.533 . . . . 0.0 111.669 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 15.6 m -61.79 -26.96 68.42 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.056 178.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.88 -45.77 80.85 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.534 ' HG ' ' OD2' ' A' ' 123' ' ' ASP . 85.0 mt -60.17 -36.48 77.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.273 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -67.59 -41.35 84.23 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.539 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 124' ' ' SER . 17.4 mm100 -53.91 -43.41 69.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 110.672 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -47.57 34.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.258 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.91 -50.19 67.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 -176.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.43 ' HG3' ' CE1' ' A' ' 136' ' ' PHE . 30.4 tt0 -62.55 -26.25 68.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.462 -177.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -70.0 -50.85 37.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.589 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.0 t -81.01 -43.05 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.598 0.713 . . . . 0.0 110.829 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.538 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 96.7 m-85 -86.63 25.05 1.31 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.398 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -49.95 138.91 14.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.428 -173.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 141' ' ' LEU . 5.4 p90 -126.47 125.58 42.34 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.175 -172.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -82.14 142.57 32.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.162 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.32 -28.56 59.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.296 -173.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.53 -30.46 27.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.047 0.451 . . . . 0.0 111.494 -178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -95.82 -27.45 15.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.497 -172.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 141' ' ' LEU . 4.1 pp -64.85 147.56 53.04 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.933 0.397 . . . . 0.0 111.092 -177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.84 117.45 68.12 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.037 174.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.28 136.61 56.4 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.539 2.159 . . . . 0.0 112.08 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 144' ' ' ARG . 49.6 mtp180 -129.02 142.96 50.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -163.3 178.43 38.92 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.197 -1.001 . . . . 0.0 112.437 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 p -83.88 120.86 26.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.974 0.416 . . . . 0.0 110.665 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.38 -8.11 69.46 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.183 179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 81.1 mt -85.55 89.41 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.13 0.49 . . . . 0.0 110.558 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -77.27 -46.36 23.36 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -111.09 170.86 7.82 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.129 -0.942 . . . . 0.0 108.842 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -99.26 157.28 16.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.654 0.264 . . . . 0.0 110.347 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -148.6 75.95 1.33 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.119 0.485 . . . . 0.0 110.132 -178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -89.32 -18.4 27.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.426 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -114.07 141.7 47.12 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 33.0 t60 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.075 -174.835 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.537 0.208 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.55 77.89 5.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.049 0.452 . . . . 0.0 110.853 -176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -89.91 67.37 7.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.931 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -61.2 -34.65 75.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.687 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.01 -44.97 78.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.335 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.5 ttp180 -65.04 -36.44 84.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.268 177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 129' ' ' ALA . 33.2 mmtp -58.14 -50.45 73.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.325 176.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.63 78.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.0 90.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.301 0.572 . . . . 0.0 110.128 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 64.1 mt -66.68 -34.17 77.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.851 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 82.5 m -61.94 -45.03 95.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.456 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.68 -40.52 97.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.4 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.498 ' SD ' ' HB2' ' A' ' 75' ' ' TYR . 31.5 mmt -66.42 -41.14 89.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.8 tp -63.12 -43.3 98.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 110.24 175.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.3 mm-40 -65.87 -31.83 73.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.025 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.618 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 32.2 m -75.61 -27.83 58.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.045 0.45 . . . . 0.0 110.607 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 27.7 t80 -70.48 -34.02 71.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 176.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.578 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.9 t -47.32 -51.72 40.77 Favored Pre-proline 0 CA--C 1.545 0.78 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.7 Cg_exo -56.55 -31.33 86.16 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.076 1.851 . . . . 0.0 112.744 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -74.27 -31.6 62.6 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.333 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 114' ' ' TRP . 44.3 mtm180 -60.88 -35.68 77.24 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.253 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.462 ' O ' HD23 ' A' ' 49' ' ' LEU . 6.0 m -51.54 -46.1 63.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.16 171.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.19 75.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.582 0.706 . . . . 0.0 110.132 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.0 t -67.62 -46.77 82.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.074 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.74 -37.32 86.07 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.49 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -58.04 -43.46 86.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.074 0.464 . . . . 0.0 109.773 176.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 8.3 t -65.6 -59.83 3.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.809 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.65 -37.18 67.9 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -176.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -81.82 -49.64 10.14 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -74.93 -40.59 60.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 111.006 -175.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -89.25 -6.67 56.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.55 -177.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.63 27.33 Favored Glycine 0 C--N 1.337 0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.473 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -140.32 140.74 10.83 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 119.666 -1.254 . . . . 0.0 111.549 -173.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -78.18 -32.68 50.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 117.808 0.804 . . . . 0.0 108.837 163.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' HA ' ' CD ' ' A' ' 83' ' ' LYS . 4.9 m-20 -59.47 -29.26 67.69 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 114.647 -1.161 . . . . 0.0 112.017 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.0 p -81.75 -11.12 59.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.107 0.479 . . . . 0.0 111.324 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.75 62.71 5.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.325 0.584 . . . . 0.0 110.908 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -99.02 139.75 34.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.34 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.09 94.43 0.9 Allowed Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.637 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.99 -0.1 7.7 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.239 -176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 m -136.04 168.56 19.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 110.218 -0.289 . . . . 0.0 110.218 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 55.05 34.4 22.42 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.25 52.98 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.929 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 57.6 mt -78.42 122.25 84.8 Favored Pre-proline 0 N--CA 1.449 -0.478 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.7 Cg_exo -68.93 143.56 55.35 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.031 1.821 . . . . 0.0 112.04 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -46.12 128.41 7.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.819 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.97 125.82 20.22 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.231 2.621 . . . . 0.0 112.553 -173.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.1 t -95.97 168.18 10.79 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.787 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.607 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 29.8 p -126.6 126.29 43.38 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.023 0.44 . . . . 0.0 110.602 -178.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.3 p -73.42 177.85 4.98 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.268 176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -55.48 -37.18 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.498 ' HB2' ' SD ' ' A' ' 36' ' ' MET . 23.9 m-85 -92.05 -25.59 18.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' A' ' 72' ' ' THR . 91.7 t -83.26 118.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.066 179.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.3 m -82.61 -37.68 24.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.53 147.82 14.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.719 0.295 . . . . 0.0 110.835 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 8.7 ptp -160.61 140.15 10.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.735 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.4 t -136.39 143.88 44.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.017 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.501 HG22 HG12 ' A' ' 86' ' ' VAL . 21.7 t -110.61 120.46 61.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.858 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.24 111.68 9.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.003 0.43 . . . . 0.0 110.073 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 58' ' ' ASP . 70.9 mmtt 56.59 39.93 29.61 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.63 -176.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.18 -23.69 3.18 Favored Glycine 0 CA--C 1.521 0.424 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.308 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.442 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 39.2 t -69.12 136.75 25.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG12 HG22 ' A' ' 81' ' ' VAL . 29.1 m -126.62 119.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 O-C-N 121.622 -0.674 . . . . 0.0 110.507 -174.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 48.8 p -104.5 123.09 46.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.991 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -111.59 136.22 51.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.366 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.9 m -116.84 134.05 55.26 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.283 -176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.36 47.35 43.61 Favored Glycine 0 C--N 1.333 0.414 0 O-C-N 124.148 0.905 . . . . 0.0 113.756 176.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.6 124.95 26.92 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.76 -140.99 0.86 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.502 0.321 . . . . 0.0 110.245 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.8 m -63.88 -11.87 31.54 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.463 HD23 HD22 ' A' ' 126' ' ' LEU . 50.8 mt -78.07 39.87 0.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.955 -173.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.47 133.13 40.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.851 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.83 -21.9 20.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.683 -177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.9 tt -82.03 136.35 35.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 0.0 110.102 -177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.0 m -112.51 125.23 54.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.206 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 87' ' ' SER . 35.0 t -101.37 127.58 54.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 176.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.9 t -124.0 105.7 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.025 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.513 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 48.5 ttm -100.66 118.27 36.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.76 178.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.1 m -111.84 103.5 55.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.906 -174.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.507 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 59.5 Cg_endo -72.94 131.19 16.56 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.424 2.082 . . . . 0.0 111.323 171.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' HA2' ' C ' ' A' ' 110' ' ' GLY . . . 109.15 -15.41 33.26 Favored Glycine 0 C--N 1.318 -0.448 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.909 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -80.24 -13.04 59.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.141 0.496 . . . . 0.0 110.046 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -63.04 123.23 18.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.491 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 107' ' ' ASN . 0.9 OUTLIER -69.69 -26.07 64.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.051 -176.099 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.45 -56.02 4.63 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -172.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -107.62 -29.37 9.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.839 0.352 . . . . 0.0 111.445 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.462 ' C ' ' HA2' ' A' ' 104' ' ' GLY . . . 92.73 -113.78 4.5 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.387 -0.911 . . . . 0.0 111.604 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.9 m -53.07 -37.74 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.1 p -88.46 62.05 6.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.431 0.634 . . . . 0.0 110.725 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . -172.02 127.17 1.37 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.018 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 44' ' ' ARG . 26.5 m-90 -100.02 128.3 46.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.698 0.285 . . . . 0.0 111.219 -177.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.45 ' O ' ' HA ' ' A' ' 101' ' ' MET . . . -97.16 147.61 23.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 173.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -122.05 136.19 54.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.932 0.396 . . . . 0.0 112.03 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -145.24 132.87 20.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.97 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 134' ' ' PHE . 71.0 m -116.8 118.0 31.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.137 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -112.28 105.57 13.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.421 . . . . 0.0 111.366 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.485 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 7.1 tp -136.91 104.71 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.576 171.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -75.76 -39.69 56.68 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -170.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.3 m -105.72 10.11 32.87 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -169.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.485 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 10.6 m-20 -143.28 87.84 1.98 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.176 -0.327 . . . . 0.0 111.114 -177.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 13.9 p -61.17 -35.55 77.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.52 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.84 90.93 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.926 0.394 . . . . 0.0 111.339 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 94' ' ' LEU . 79.6 mt -68.91 -34.06 74.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.953 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 53.2 tt0 -62.43 -46.28 89.25 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 124' ' ' SER . 16.0 mm100 -52.64 -42.75 64.94 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.684 0.615 . . . . 0.0 111.127 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.405 ' HA ' ' HE2' ' A' ' 30' ' ' LYS . . . -72.33 -45.15 61.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.167 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 29.2 t -68.43 -48.47 64.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.798 -177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 5.4 pt-20 -61.97 -22.19 65.44 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.273 -177.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -67.48 -53.03 32.25 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.964 -0.46 . . . . 0.0 110.333 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.2 t -84.44 -44.61 17.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.462 0.649 . . . . 0.0 111.743 -177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.493 ' HB2' ' SG ' ' A' ' 118' ' ' CYS . 97.4 m-85 -95.77 26.5 4.0 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.859 -175.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -46.43 136.42 7.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.86 -169.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -67.7 121.53 16.12 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 114.583 -1.189 . . . . 0.0 108.993 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -79.78 160.49 26.16 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -47.59 -36.59 10.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.729 0.3 . . . . 0.0 111.76 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.32 -24.57 67.31 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.012 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.407 HD21 ' HB1' ' A' ' 115' ' ' ALA . 19.3 m120 -91.33 -4.81 55.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.784 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.1 mt -94.92 138.98 31.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.953 0.406 . . . . 0.0 110.485 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.82 130.88 43.26 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.44 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -56.06 132.84 54.41 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.169 1.913 . . . . 0.0 112.019 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -126.51 111.01 13.9 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.8 111.85 3.18 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.039 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 16.1 p -89.43 125.88 35.34 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.817 0.341 . . . . 0.0 111.179 -174.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 81.38 -33.34 2.51 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 121.278 -0.487 . . . . 0.0 113.095 176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 73.1 mt -93.94 90.64 6.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.781 0.324 . . . . 0.0 110.392 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -67.98 -46.54 71.05 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -91.46 111.47 22.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -78.39 116.09 18.56 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.27 -172.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 68.82 115.03 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 O-C-N 124.215 0.947 . . . . 0.0 110.702 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -92.82 122.39 35.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -89.41 2.16 54.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.235 0.541 . . . . 0.0 110.192 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 34.1 m170 . . . . . 0 C--O 1.25 1.108 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.221 173.758 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.242 0.544 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.2 pm0 -74.46 112.9 11.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.266 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 86.5 m-20 -127.67 34.29 4.68 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.654 -175.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.12 -33.43 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.037 -176.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 28' ' ' LEU . 4.4 mm? -73.67 -33.03 64.28 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 32.8 ttm180 -59.54 -43.53 93.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.716 171.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 43.0 mmtm -60.72 -50.4 73.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.26 75.76 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.0 80.15 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.103 0.478 . . . . 0.0 110.109 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.7 mt -62.94 -38.55 91.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.044 177.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.493 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 26.1 m -64.79 -37.93 89.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.197 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.37 -38.93 91.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.239 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.2 tpt -64.68 -41.02 96.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.001 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.5 tp -62.24 -40.59 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.294 175.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 34' ' ' THR . 85.5 mm-40 -63.67 -24.68 67.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.006 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.57 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 20.8 m -75.32 -35.41 61.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.259 0.552 . . . . 0.0 110.277 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -70.71 -34.18 71.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.78 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.57 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 65.5 t -47.16 -52.94 31.31 Favored Pre-proline 0 CA--C 1.541 0.629 0 N-CA-C 113.018 0.748 . . . . 0.0 113.018 -177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.57 ' HD2' ' O ' ' A' ' 39' ' ' THR . 36.4 Cg_exo -61.88 -31.13 84.79 Favored 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 121.748 1.632 . . . . 0.0 112.519 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.9 m-85 -71.37 -25.78 62.52 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.194 -0.202 . . . . 0.0 111.22 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.564 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 49.0 mtm180 -55.69 -47.19 77.21 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' HD23 ' A' ' 49' ' ' LEU . 45.5 m -52.64 -47.39 67.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.406 176.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.35 -38.99 88.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.371 0.605 . . . . 0.0 110.051 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 43' ' ' TYR . 71.5 t -63.65 -45.6 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.838 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 41.6 mt-10 -64.99 -43.29 93.06 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.008 0.432 . . . . 0.0 110.788 -177.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 45' ' ' THR . 4.5 mm? -66.67 -41.66 87.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.78 -31.87 72.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.986 0.422 . . . . 0.0 110.196 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.53 68.22 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.464 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.2 tp -81.32 -19.49 42.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.868 -176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.05 -45.76 66.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -175.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -107.96 -11.94 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.37 -20.28 7.41 Favored Glycine 0 N--CA 1.458 0.126 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.382 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.41 149.26 18.38 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 163.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.7 mt -72.99 -2.4 20.91 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 122.921 0.489 . . . . 0.0 111.662 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 3.0 m-20 -48.88 -32.06 8.26 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -177.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.9 p -92.62 0.1 57.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.086 0.469 . . . . 0.0 111.906 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.39 73.29 2.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.304 0.573 . . . . 0.0 110.662 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -101.86 156.86 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.047 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.19 106.89 1.86 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.685 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.14 8.88 19.22 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.188 -0.53 . . . . 0.0 111.896 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.1 m -140.16 154.81 47.08 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 60.57 34.81 20.19 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.142 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.63 2.07 84.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.345 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.4 mt -90.47 125.49 59.55 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -57.85 159.17 18.39 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.79 2.327 . . . . 0.0 112.742 -177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 p -79.06 141.7 58.76 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.13 123.18 13.21 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.324 2.016 . . . . 0.0 112.017 -172.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.7 t -138.14 172.25 13.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.663 -177.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.4 p -124.65 126.14 45.27 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.97 0.414 . . . . 0.0 110.823 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 p -79.41 176.5 9.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 74' ' ' ARG . 39.3 ttp-105 -54.91 -38.77 68.04 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -172.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.54 ' HB3' ' HG2' ' A' ' 92' ' ' GLU . 20.0 m-85 -91.78 -7.45 49.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.254 0.465 . . . . 0.0 112.254 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.0 t -94.31 128.12 45.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 O-C-N 121.974 -0.454 . . . . 0.0 110.443 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.1 t -87.78 -39.7 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.078 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.1 146.02 15.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.591 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.496 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.7 ptm -168.07 139.97 2.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 123.568 0.543 . . . . 0.0 110.0 175.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 35.5 p -136.29 150.19 48.8 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.705 -178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -108.49 116.22 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.24 111.23 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.156 0.503 . . . . 0.0 110.331 -176.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 65.3 mmtt 54.38 42.84 31.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.945 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.46 -24.28 3.16 Favored Glycine 0 CA--C 1.523 0.54 0 CA-C-N 116.093 -0.503 . . . . 0.0 113.349 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.43 HG22 HG23 ' A' ' 102' ' ' THR . 26.8 t -71.44 142.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 175.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 101' ' ' MET . 26.8 m -132.62 117.64 31.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 0.0 110.518 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 79' ' ' MET . 49.6 m -104.47 125.4 50.62 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.899 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 mp -114.79 144.88 42.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.473 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 20.8 m -132.42 143.27 49.69 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.494 0.188 . . . . 0.0 110.592 -178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 50.73 46.36 47.87 Favored Glycine 0 C--N 1.332 0.349 0 O-C-N 123.945 0.778 . . . . 0.0 113.155 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.41 125.07 35.01 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.54 ' HG2' ' HB3' ' A' ' 75' ' ' TYR . 17.0 mt-10 51.92 -128.98 2.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.238 0.542 . . . . 0.0 112.02 -179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -71.96 -14.0 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.581 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.3 mt -81.68 39.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.488 0.661 . . . . 0.0 110.098 -175.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.21 129.71 39.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.326 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.56 -17.0 46.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.929 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.0 tt -89.91 139.03 31.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.018 0.437 . . . . 0.0 110.792 -175.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.9 t -113.83 119.69 38.18 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.1 p -111.78 128.63 68.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.976 0.417 . . . . 0.0 109.897 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.84 113.44 43.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.593 -176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.484 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 49.0 tpp -94.65 110.65 22.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 174.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.448 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 6.2 m -113.5 93.44 27.4 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.986 -176.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 101' ' ' MET . 24.2 Cg_exo -63.4 131.35 31.59 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.532 2.155 . . . . 0.0 111.714 174.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.27 -171.63 54.66 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.681 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 42.1 p-90 -172.16 -23.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.334 0.588 . . . . 0.0 109.605 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -139.78 133.93 31.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.408 -0.814 . . . . 0.0 108.94 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -66.19 -26.46 67.41 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.446 0.466 . . . . 0.0 112.086 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.18 -29.38 26.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.832 0.349 . . . . 0.0 110.505 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -84.03 -4.26 58.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.516 176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.31 -122.44 23.29 Favored Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.48 -0.782 . . . . 0.0 113.48 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 111' ' ' VAL . 15.0 p -136.61 45.33 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 122.223 1.011 . . . . 0.0 110.71 -173.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 29.7 p -84.82 34.62 0.54 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.502 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.22 158.91 20.34 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.025 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 28.7 m-90 -127.85 123.16 34.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -92.91 113.72 26.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.174 0.512 . . . . 0.0 109.67 176.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.405 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 73.1 mtt180 -109.5 135.04 51.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.816 -174.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.23 133.29 42.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.4 m -112.3 116.93 31.17 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -114.35 102.77 10.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.173 0.511 . . . . 0.0 110.454 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.45 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.2 tp -137.53 102.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.491 175.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.442 ' CD ' ' H ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -72.9 -38.14 67.02 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -169.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.4 p -93.39 -15.43 25.67 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -172.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.45 ' H ' HG13 ' A' ' 120' ' ' ILE . 12.7 m-20 -139.07 81.49 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -169.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.4 m -60.7 -22.99 64.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.77 -35.63 78.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 111.101 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.2 mt -72.26 -30.78 65.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.965 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.636 ' HA ' ' SG ' ' A' ' 130' ' ' CYS . 33.9 tt0 -66.93 -41.25 87.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.73 175.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -57.6 -36.44 71.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.513 174.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.38 -48.3 28.76 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.387 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 31.5 p -69.11 -44.46 72.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.916 -175.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.46 -22.9 66.58 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.543 0.211 . . . . 0.0 111.16 -178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.96 -51.04 69.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.918 0.39 . . . . 0.0 110.141 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.71 -47.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.58 0.705 . . . . 0.0 111.266 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -84.79 25.48 0.92 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.991 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -49.67 142.34 8.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.821 -174.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -134.66 131.6 37.93 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.421 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -72.01 135.54 46.42 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 173.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -90.69 18.14 6.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -84.96 -48.43 9.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.23 178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -78.19 -6.05 53.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.721 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 78.2 mt -105.81 129.69 53.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.813 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.9 p -52.47 123.84 30.8 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-O 120.979 0.419 . . . . 0.0 110.851 174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.467 ' O ' ' HD2' ' A' ' 144' ' ' ARG . 59.4 Cg_endo -72.31 131.99 18.61 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.503 2.135 . . . . 0.0 112.94 -173.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.467 ' HD2' ' O ' ' A' ' 143' ' ' PRO . 30.7 mmm180 -140.79 99.38 3.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.677 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -52.53 116.05 4.91 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 121.294 -0.479 . . . . 0.0 113.21 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.7 p -93.0 148.96 21.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.786 0.327 . . . . 0.0 110.319 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.71 26.14 6.57 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.941 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 63.3 mt -101.05 89.82 3.95 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -103.35 -9.25 19.61 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.631 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -69.94 102.46 1.99 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -77.9 105.02 8.82 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.31 -172.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -131.76 19.82 4.64 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 171.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -157.98 128.7 6.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.566 -1.197 . . . . 0.0 108.982 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -131.51 123.08 27.28 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.952 -175.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 36.7 m80 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.858 176.475 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 55.68 57.89 4.93 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.689 -176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.09 -2.51 2.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.715 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -62.52 -31.56 72.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 110.682 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.2 mt -79.56 -39.29 32.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.843 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 30.0 ttm180 -59.31 -43.58 92.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.74 172.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -62.11 -47.01 86.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.154 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.11 -38.22 79.04 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.912 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.57 98.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.295 0.569 . . . . 0.0 110.096 179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 75.7 mt -68.67 -38.33 80.31 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.292 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -66.21 -38.92 89.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.518 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -67.68 -39.08 84.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.691 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.5 tpt -63.69 -42.04 98.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.073 175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.9 tp -60.2 -44.86 94.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.269 176.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -67.35 -23.73 65.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.419 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 28.1 m -76.46 -35.31 58.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.375 0.607 . . . . 0.0 110.244 172.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -70.69 -35.84 72.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.25 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.538 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 70.7 t -51.82 -50.47 77.68 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.538 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 53.1 Cg_exo -52.3 -42.28 61.29 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 121.896 1.73 . . . . 0.0 112.615 175.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.501 ' O ' HG23 ' A' ' 47' ' ' VAL . 86.2 m-85 -68.83 -33.34 73.67 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.757 177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.671 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 2.8 mmp_? -54.77 -53.64 52.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.276 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' HD23 ' A' ' 49' ' ' LEU . 21.2 m -52.13 -42.92 63.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.925 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.6 -37.01 86.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.451 0.643 . . . . 0.0 110.693 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 43' ' ' TYR . 98.0 t -69.9 -40.57 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.317 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.671 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 4.0 mm-40 -68.34 -39.84 81.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.059 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 45' ' ' THR . 3.7 mm? -61.84 -38.7 89.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.237 176.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' A' ' 59' ' ' THR . 2.7 t -62.36 -52.19 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.198 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.24 60.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.231 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 83.2 mt -73.34 -21.99 60.41 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -73.26 -36.53 66.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 0.0 111.042 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -108.96 -12.63 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.305 0.574 . . . . 0.0 110.479 -178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.53 -20.06 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.066 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.02 154.43 16.61 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.581 162.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.7 mt -72.25 -2.64 19.69 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 123.245 0.618 . . . . 0.0 111.848 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.95 -39.64 27.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.771 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.567 HG23 ' SG ' ' A' ' 50' ' ' CYS . 14.9 t -76.79 -5.43 48.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 111.526 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 58.4 m -97.51 60.16 1.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.0 110.519 -176.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.486 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 9.8 t70 -109.57 133.97 52.47 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.282 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.33 108.37 2.46 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.951 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.64 2.64 24.1 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.314 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 35.0 m -143.44 162.77 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.7 0.25 . . . . 0.0 110.921 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 62.45 34.2 15.61 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.705 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.02 -3.43 84.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.638 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 55.5 mt -92.44 123.51 61.96 Favored Pre-proline 0 N--CA 1.447 -0.617 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 19.9 Cg_exo -65.29 146.99 87.35 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.725 2.284 . . . . 0.0 112.301 -177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -48.67 136.54 13.05 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.315 172.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -50.33 125.47 15.26 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.533 2.822 . . . . 0.0 112.993 -172.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 t -118.33 -177.67 3.34 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.676 -177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.43 HG22 HG12 ' A' ' 76' ' ' VAL . 18.4 p -135.97 143.27 44.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.855 0.36 . . . . 0.0 110.551 -177.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.465 ' OG1' HG23 ' A' ' 76' ' ' VAL . 30.3 p -85.2 176.95 8.05 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 174.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -55.03 -40.27 70.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -92.3 -12.97 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG23 ' OG1' ' A' ' 73' ' ' THR . 79.0 t -82.48 127.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.378 0.609 . . . . 0.0 110.636 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -81.34 -46.57 14.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.755 -175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -171.88 142.63 1.52 Allowed 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.385 -177.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.493 ' HA ' ' O ' ' A' ' 87' ' ' SER . 22.9 ptm -160.92 140.37 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.148 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.552 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 9.5 m -124.59 151.31 44.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.7 t -125.89 119.31 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -139.08 109.58 6.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.177 0.513 . . . . 0.0 109.972 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 52.05 43.8 30.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.368 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.37 -24.05 6.71 Favored Glycine 0 CA--C 1.523 0.555 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.54 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.45 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 38.2 t -73.18 134.55 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.552 ' HA ' ' O ' ' A' ' 80' ' ' SER . 27.7 m -132.83 121.02 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.516 0.674 . . . . 0.0 111.177 -174.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' A' ' 79' ' ' MET . 24.9 m -104.17 125.37 50.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.786 176.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -113.04 137.95 50.64 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 11.4 m -119.81 132.49 55.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -173.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.27 46.25 28.06 Favored Glycine 0 C--N 1.334 0.445 0 CA-C-N 114.952 -1.022 . . . . 0.0 114.052 176.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.51 HE21 ' HG2' ' A' ' 92' ' ' GLU . 28.8 tp60 -82.95 124.69 30.61 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.001 -174.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.51 ' HG2' HE21 ' A' ' 91' ' ' GLN . 5.8 mm-40 55.04 -123.31 2.02 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.883 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.9 t -72.42 -14.51 61.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.84 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 97' ' ' LEU . 54.4 mt -87.2 37.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.342 0.591 . . . . 0.0 110.122 -174.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.55 134.23 56.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.995 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.6 -17.85 32.83 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.467 -174.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.431 HD13 HD22 ' A' ' 94' ' ' LEU . 8.9 tt -94.27 136.62 34.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.793 0.33 . . . . 0.0 110.215 -176.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -113.02 124.3 52.29 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -100.98 127.43 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.8 t -118.43 102.89 13.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.419 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.6 tpp -92.34 112.45 24.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.628 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 5.4 m -111.23 90.9 12.43 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.538 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 62.1 Cg_endo -77.56 132.96 12.56 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.462 2.108 . . . . 0.0 112.219 176.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.593 ' HA2' ' N ' ' A' ' 112' ' ' THR . . . 85.03 155.68 24.56 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.633 -0.712 . . . . 0.0 113.148 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -141.96 -39.9 0.37 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -108.12 132.34 53.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.795 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.53 -25.67 65.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.556 -172.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.36 -40.58 67.21 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -173.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.405 HD21 ' HA ' ' A' ' 112' ' ' THR . 1.4 p-10 -97.74 -2.0 42.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.948 0.404 . . . . 0.0 110.647 -177.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.96 -96.14 0.95 Allowed Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.8 -0.636 . . . . 0.0 113.023 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.2 t -89.99 79.54 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.174 0.511 . . . . 0.0 110.952 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.593 ' N ' ' HA2' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -74.42 53.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.357 174.319 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.82 -170.51 38.2 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.485 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.42 ' HE1' ' NH1' ' A' ' 44' ' ' ARG . 28.9 m-90 -134.72 128.92 33.89 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.612 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -97.32 121.36 39.13 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.3 mpt_? -108.76 131.42 54.96 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.83 0.348 . . . . 0.0 110.756 -177.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -136.1 127.98 29.36 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.802 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 38.5 m -111.91 116.26 30.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.839 173.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -108.67 102.89 11.91 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.34 176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 120' ' ' ILE . 5.7 tp -136.15 100.31 2.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.278 173.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -73.88 -38.62 64.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.11 -169.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.9 m -90.76 -12.92 35.07 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -171.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -143.1 86.81 1.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 127' ' ' GLN . 9.5 t -60.83 -22.08 63.84 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.198 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.55 83.94 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.349 . . . . 0.0 111.446 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.8 mt -70.51 -31.0 67.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.89 0.376 . . . . 0.0 110.064 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 49.5 tt0 -61.83 -45.13 95.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.953 175.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -62.74 -31.52 72.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.41 -48.59 26.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.394 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 127' ' ' GLN . 26.2 p -69.05 -44.3 72.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.975 -177.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 8.7 pt-20 -62.51 -23.65 67.07 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.483 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -70.66 -47.86 57.83 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.222 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 135' ' ' ARG . 93.1 t -82.89 -48.54 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.27 0.557 . . . . 0.0 111.193 -178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.431 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 94.9 m-85 -80.29 23.94 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.118 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 28.8 ptt180 -51.13 144.33 9.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.786 -1.097 . . . . 0.0 112.634 -166.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.517 ' CD2' HD11 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -101.64 117.59 35.21 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.36 -175.724 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.43 ' HB2' ' ND2' ' A' ' 140' ' ' ASN . 0.7 OUTLIER -61.93 128.77 37.75 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 176.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.37 -13.4 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.32 0.387 . . . . 0.0 111.54 -174.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -66.47 -20.26 66.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.162 0.506 . . . . 0.0 110.485 174.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 137' ' ' ASP . 35.9 m-80 -97.25 2.64 51.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.211 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 136' ' ' PHE . 86.9 mt -123.81 93.08 3.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.854 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.9 p -61.3 121.79 65.72 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.068 0.461 . . . . 0.0 110.077 171.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.3 156.3 37.25 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.75 2.3 . . . . 0.0 112.987 -175.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -136.18 98.79 3.95 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 176.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 73.81 112.91 0.07 OUTLIER Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.985 -174.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -67.38 137.64 56.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.896 0.379 . . . . 0.0 110.915 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.61 -15.23 63.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.02 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.5 mt -93.0 90.44 6.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.001 0.429 . . . . 0.0 110.37 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -81.62 -32.06 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -59.36 129.16 40.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.59 -1.187 . . . . 0.0 110.242 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -56.62 123.49 15.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.835 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -63.17 125.86 25.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.118 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -74.48 106.73 6.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.532 -175.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -97.04 142.96 28.35 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.948 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 54.7 t60 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.737 -179.384 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.753 0.311 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -131.11 118.38 20.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 0.0 110.039 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 40.5 m-80 -121.81 5.62 9.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -64.35 -38.98 92.96 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.214 -175.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.18 -32.85 63.25 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 35.1 ttm180 -64.62 -41.3 96.29 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.177 175.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 7.7 mtmp? -65.88 -40.79 91.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 177.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.93 76.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.738 0.304 . . . . 0.0 111.299 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.49 86.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.378 0.609 . . . . 0.0 109.571 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 88.1 mt -66.28 -33.91 76.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.324 176.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 70.1 m -64.65 -41.74 95.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.282 176.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -69.01 -39.12 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.771 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.0 tpt -61.0 -43.73 98.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.187 175.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 41' ' ' VAL . 2.8 tm? -61.89 -48.76 79.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.78 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 34' ' ' THR . 15.2 mm100 -66.03 -29.98 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.514 -177.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.577 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 59.1 m -75.93 -32.29 59.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.248 0.547 . . . . 0.0 110.682 175.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' A' ' 43' ' ' TYR . 9.5 t80 -70.54 -33.87 71.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.183 -178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 91.9 t -52.31 -50.92 76.84 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.577 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.7 Cg_exo -55.42 -26.22 52.39 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.253 1.969 . . . . 0.0 112.941 174.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.445 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 27.9 m-85 -74.84 -42.06 58.69 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 175.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.651 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 12.7 mmm180 -61.47 -37.94 85.44 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 114.523 -1.217 . . . . 0.0 111.185 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' HD23 ' A' ' 49' ' ' LEU . 17.5 m -52.27 -44.03 64.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.678 0.275 . . . . 0.0 111.178 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.94 95.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.419 0.628 . . . . 0.0 110.151 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.3 t -66.97 -37.54 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.08 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 58.0 mm-40 -68.97 -39.98 79.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 0.0 110.181 -179.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 45' ' ' THR . 4.4 mm? -64.84 -43.25 93.67 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.7 t -55.84 -38.04 69.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.594 173.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' CB ' ' HG ' ' A' ' 57' ' ' LEU . . . -69.83 -45.81 67.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.359 -177.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.9 tp -68.07 -17.35 64.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.1 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -62.47 -40.76 97.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -108.82 -12.65 14.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.312 0.577 . . . . 0.0 109.995 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 87.08 -19.41 30.72 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.07 152.31 17.33 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.862 164.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.484 ' HG ' ' CB ' ' A' ' 51' ' ' ALA . 3.2 mp -73.11 -1.92 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.765 0.426 . . . . 0.0 111.98 -177.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.48 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 18.6 t70 -48.98 -32.94 10.03 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 122.647 0.379 . . . . 0.0 112.02 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.1 t -83.19 -0.43 49.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.191 0.519 . . . . 0.0 111.011 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HA ' HD12 ' A' ' 67' ' ' ILE . 34.8 m -107.54 63.28 0.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.501 0.667 . . . . 0.0 109.779 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.621 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 27.9 t70 -118.94 135.2 54.71 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.41 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.35 95.2 0.43 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.83 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.12 1.17 6.32 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.764 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 61' ' ' ASP . 59.4 p -145.91 161.48 39.94 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.977 0.388 . . . . 0.0 111.342 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 56.0 44.96 24.66 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.237 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.34 -19.27 28.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.872 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 60' ' ' CYS . 42.8 mt -87.32 127.7 57.94 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.05 164.12 22.52 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.201 1.934 . . . . 0.0 112.727 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.6 m -44.28 136.17 4.1 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.873 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -49.96 129.93 26.07 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.489 2.793 . . . . 0.0 112.956 -172.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.4 p -113.54 176.15 5.15 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.589 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.8 p -131.74 129.96 41.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.103 178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.7 p -73.97 177.16 5.82 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -53.82 -42.9 68.93 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -167.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -103.37 5.14 37.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 54.6 t -87.22 128.52 39.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.239 176.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.7 m -81.19 -42.36 20.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.633 -173.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -171.83 145.06 1.86 Allowed 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.471 ' HA ' ' O ' ' A' ' 87' ' ' SER . 25.4 ptm -169.32 146.87 3.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.86 0.362 . . . . 0.0 111.04 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.8 t -135.2 147.52 49.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.612 176.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.9 t -121.61 118.68 56.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.621 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -131.3 110.24 10.95 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.129 0.49 . . . . 0.0 110.778 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.48 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 32.2 mmtp 50.0 46.35 24.49 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.853 -178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.41 -24.7 5.43 Favored Glycine 0 CA--C 1.521 0.456 0 CA-C-N 116.179 -0.464 . . . . 0.0 113.212 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 82' ' ' ALA . 61.6 t -64.46 138.36 23.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.6 t -134.62 112.72 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.078 0.466 . . . . 0.0 110.381 -173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 31.6 t -102.23 121.4 42.18 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.865 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.3 mm? -100.77 134.62 43.47 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.2 m -123.19 127.54 48.78 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.911 -175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 94' ' ' LEU . . . 48.14 45.91 27.19 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 114.857 -1.065 . . . . 0.0 114.1 174.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.506 HE21 ' HG3' ' A' ' 92' ' ' GLU . 28.0 tp60 -72.97 122.7 22.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 117.211 0.506 . . . . 0.0 110.291 -177.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.506 ' HG3' HE21 ' A' ' 91' ' ' GLN . 48.4 mt-10 46.86 -116.48 0.69 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.782 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.8 m -74.35 -14.43 60.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.817 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.474 ' O ' ' HA2' ' A' ' 90' ' ' GLY . 53.3 mt -81.93 38.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.415 0.626 . . . . 0.0 110.558 -174.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -56.5 132.47 51.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.917 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.25 -10.4 49.26 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.484 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.446 HD13 HD22 ' A' ' 94' ' ' LEU . 8.7 tt -93.21 133.63 36.22 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.061 0.458 . . . . 0.0 110.126 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.6 m -112.88 129.44 56.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.911 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.5 t -106.51 125.13 62.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 174.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.06 103.39 15.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 50.3 ttm -88.79 110.61 21.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.043 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.447 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 10.7 m -106.96 96.67 15.39 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.257 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 102' ' ' THR . 34.4 Cg_endo -66.23 139.59 55.73 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 112.543 176.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 112' ' ' THR . . . -136.71 129.75 4.95 Favored Glycine 0 N--CA 1.442 -0.964 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -123.23 52.53 1.38 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.92 0.867 . . . . 0.0 109.131 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -86.03 85.31 7.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.384 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -57.28 -37.42 72.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.826 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.7 -27.18 65.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.629 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -102.11 -0.06 33.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.966 0.412 . . . . 0.0 110.659 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 63.58 21.39 64.81 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.487 -175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 140' ' ' ASN . 97.6 t -102.76 94.36 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.128 0.489 . . . . 0.0 109.893 -179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 104' ' ' GLY . 26.3 p -127.81 99.04 5.38 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.809 -177.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.23 -160.59 32.9 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.365 -178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 6.8 m-90 -117.31 124.25 48.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.517 0.199 . . . . 0.0 110.606 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.78 113.57 25.88 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -108.46 120.35 42.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.727 -176.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.492 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 17.5 m120 -112.2 125.65 54.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.244 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 80.0 m -102.57 115.61 30.93 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -115.53 105.04 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.0 111.133 -177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 123' ' ' ASP . 5.2 tp -135.77 103.57 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.452 173.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -74.78 -39.78 61.56 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -167.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -98.3 2.69 48.4 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.484 ' HB2' ' CG1' ' A' ' 120' ' ' ILE . 6.7 m-20 -142.5 83.81 1.83 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.843 0.354 . . . . 0.0 110.558 -174.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 17.8 t -60.49 -30.98 70.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.368 -177.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.23 -40.09 94.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.914 0.387 . . . . 0.0 111.354 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.12 -32.57 74.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.102 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -68.06 -43.7 78.05 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.777 176.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 124' ' ' SER . 97.6 mt-30 -56.64 -40.34 75.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.798 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.17 -45.27 49.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.362 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 49.3 t -69.19 -49.58 55.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.925 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 30.8 tt0 -63.0 -25.74 68.53 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.356 -177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -61.72 -51.14 69.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.544 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 63.8 t -84.14 -49.11 16.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.328 0.585 . . . . 0.0 111.678 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.577 ' O ' ' HB2' ' A' ' 116' ' ' ARG . 87.0 m-85 -86.11 21.87 1.89 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.123 -175.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.457 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 14.0 ptm180 -49.36 145.93 4.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.386 0.613 . . . . 0.0 112.44 -173.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 116' ' ' ARG . 9.2 p90 -119.44 110.39 16.86 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.889 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -91.41 146.42 23.82 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.77 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -13.16 17.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.108 -179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.37 -22.13 63.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.928 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . 0.4 ' HA ' HG13 ' A' ' 111' ' ' VAL . 19.4 m120 -107.69 11.82 28.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -177.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 141' ' ' LEU . 2.6 pp -153.03 119.6 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.413 0.625 . . . . 0.0 111.185 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.96 129.65 49.45 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.052 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.04 133.85 34.81 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.462 2.108 . . . . 0.0 112.237 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -113.03 124.43 52.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.789 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.62 105.07 0.4 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.101 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.9 m -91.92 120.78 32.91 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.15 33.01 2.24 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.521 -0.847 . . . . 0.0 111.981 -177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 94.4 mt -77.06 90.84 3.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.987 0.423 . . . . 0.0 110.563 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -90.1 -10.9 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.612 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -86.62 147.86 25.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.02 176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -104.92 161.76 13.92 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.136 -177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -132.08 55.33 1.88 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.871 0.367 . . . . 0.0 110.475 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -76.08 -36.22 59.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.893 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -122.69 149.25 44.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.801 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 8.5 t60 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.232 177.865 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.5 mtm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.661 0.267 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -80.89 123.74 28.53 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 176.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -109.32 27.12 9.85 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 -173.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -70.32 -37.75 74.78 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.218 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.37 -38.95 71.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.884 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.543 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 37.4 ttp180 -62.64 -40.9 98.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.099 175.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -59.78 -50.89 72.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.506 177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.7 -40.75 93.38 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.88 98.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.204 0.526 . . . . 0.0 110.284 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 86.9 mt -68.48 -35.88 78.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.371 177.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 57.4 m -63.97 -38.55 91.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.953 176.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.2 -40.54 86.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.073 177.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.7 tpp -61.3 -43.32 99.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.881 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.9 tp -64.55 -40.77 96.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.415 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 28.3 mm-40 -66.24 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.262 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.552 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 21.8 m -75.7 -29.41 58.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.377 0.608 . . . . 0.0 110.244 175.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -69.78 -34.62 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.388 176.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 78.8 t -50.75 -51.51 65.4 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 113.007 0.744 . . . . 0.0 113.007 -178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD2' ' O ' ' A' ' 39' ' ' THR . 50.1 Cg_exo -55.29 -39.61 90.07 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.904 1.736 . . . . 0.0 112.558 175.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.495 ' O ' HG23 ' A' ' 47' ' ' VAL . 75.2 m-85 -72.26 -24.16 61.32 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.249 -178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.528 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 33.1 mtp-105 -55.35 -44.98 76.45 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 175.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.463 ' O ' HD23 ' A' ' 49' ' ' LEU . 34.1 m -52.68 -47.13 67.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.489 175.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.12 86.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.251 177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 43' ' ' TYR . 78.7 t -62.03 -48.36 88.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.47 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.6 mt-10 -60.29 -44.84 95.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.035 0.445 . . . . 0.0 110.352 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 45' ' ' THR . 4.1 mm? -60.99 -43.26 99.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.072 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 42.6 t -72.27 -32.36 66.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.041 0.448 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' HB2' HD21 ' A' ' 57' ' ' LEU . . . -69.78 -41.91 74.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.695 -176.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -76.8 -19.99 56.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.44 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -68.46 -46.75 68.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -176.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -109.29 -11.7 14.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.539 0.685 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.93 -19.63 9.46 Favored Glycine 0 C--N 1.322 -0.222 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.945 -178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.88 145.77 18.75 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.015 -1.088 . . . . 0.0 113.116 164.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.402 HD21 ' HB2' ' A' ' 51' ' ' ALA . 43.7 mt -73.32 -2.04 20.47 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 123.059 0.544 . . . . 0.0 111.517 177.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 29.2 t70 -47.71 -33.88 7.54 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -177.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.3 p -90.66 -1.38 57.87 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.105 0.479 . . . . 0.0 111.983 -176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.401 ' SG ' HD23 ' A' ' 57' ' ' LEU . 34.8 m -93.04 72.32 4.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.406 -173.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -108.84 147.46 32.07 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.95 111.99 4.54 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.189 -178.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.46 -4.1 19.82 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.549 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.8 p -129.8 160.86 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.717 0.258 . . . . 0.0 111.094 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 56.13 28.85 13.64 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.166 0.586 . . . . 0.0 112.454 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.64 -6.7 76.6 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.543 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.425 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.2 mt -76.4 130.15 77.98 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 46.1 Cg_exo -57.13 155.88 27.09 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.753 2.302 . . . . 0.0 112.854 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.4 t -88.18 138.69 30.54 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.72 124.88 14.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 123.197 2.598 . . . . 0.0 112.729 -173.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -144.65 179.76 7.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.12 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 76' ' ' VAL . 54.4 p -130.71 126.67 37.06 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 120.968 0.413 . . . . 0.0 110.435 -179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.414 ' OG1' HG23 ' A' ' 76' ' ' VAL . 49.5 p -72.35 178.53 3.9 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -54.0 -42.73 69.36 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.343 -0.143 . . . . 0.0 111.098 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -89.98 -17.96 26.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.902 0.705 . . . . 0.0 112.902 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.514 ' O ' ' HB ' ' A' ' 72' ' ' THR . 54.1 t -81.02 129.6 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.241 0.543 . . . . 0.0 110.531 -176.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -86.04 -42.71 13.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.544 -176.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -170.27 147.14 3.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.207 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.7 ptp -165.84 140.81 4.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 123.642 0.589 . . . . 0.0 110.222 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 23.7 m -129.15 145.4 51.31 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.595 179.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -118.44 112.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.13 110.97 11.55 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.05 0.453 . . . . 0.0 110.515 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 66.6 mttm 48.05 46.4 19.3 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.109 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.51 -24.89 5.36 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.854 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.3 t -68.04 142.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 80' ' ' SER . 23.2 m -137.2 113.6 12.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.629 0.728 . . . . 0.0 110.632 -176.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 m -104.65 129.0 52.86 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.462 176.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.7 141.94 50.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.867 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.1 m -132.33 150.93 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.941 0.4 . . . . 0.0 111.481 -173.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 95' ' ' ASN . . . 52.12 41.85 54.07 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 113.576 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 24.4 tp60 -83.13 125.71 31.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -174.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HG2' HE21 ' A' ' 91' ' ' GLN . 6.0 mm-40 57.31 -139.8 0.86 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.641 -178.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.8 t -64.51 -13.31 51.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.893 0.378 . . . . 0.0 111.391 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 56.2 mt -81.33 38.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.003 0.43 . . . . 0.0 111.041 -174.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.439 ' HA ' ' HA2' ' A' ' 90' ' ' GLY . 28.6 t-20 -54.36 134.38 45.47 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.738 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.28 -23.46 15.09 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.844 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.5 tt -85.64 138.13 32.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.741 0.305 . . . . 0.0 110.286 -176.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -118.75 135.6 54.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.051 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.24 128.26 68.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.79 108.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.925 0.393 . . . . 0.0 110.03 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.4 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 55.0 tpp -97.59 110.58 23.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.75 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.571 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 4.4 m -111.04 90.45 11.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.971 0.415 . . . . 0.0 110.338 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.24 133.33 19.23 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.631 2.221 . . . . 0.0 113.075 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.78 42.11 1.17 Allowed Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 172.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.477 ' HA ' ' HA ' ' A' ' 112' ' ' THR . 3.7 t90 -86.7 49.88 1.9 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.554 0.692 . . . . 0.0 110.362 -173.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' ' 109' ' ' ASN . 10.7 m-20 -87.86 60.13 5.73 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.502 178.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.55 -34.54 67.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.414 -171.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.98 -15.33 48.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.564 -176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 106' ' ' ASP . 71.0 m-20 -99.33 -28.06 13.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.896 -177.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 160.34 -77.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.473 -0.87 . . . . 0.0 113.06 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.4 m -71.05 177.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.411 0.148 . . . . 0.0 111.057 -177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 105' ' ' TRP . 8.8 t -169.52 140.77 2.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.912 0.387 . . . . 0.0 111.279 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' H ' ' HA ' ' A' ' 105' ' ' TRP . . . 125.53 169.27 12.86 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.032 -0.604 . . . . 0.0 113.036 175.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 30.4 m-90 -119.96 132.09 55.39 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -92.95 113.03 25.19 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.461 ' HB2' ' HB3' ' A' ' 136' ' ' PHE . 1.1 mpp_? -108.91 133.69 52.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.804 -177.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -140.26 118.74 12.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.783 -177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 71.4 m -104.34 115.08 29.75 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -114.89 104.92 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 111.481 -175.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.418 HG13 ' H ' ' A' ' 123' ' ' ASP . 5.5 tp -136.84 103.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.965 172.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -74.07 -38.88 63.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -169.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.9 p -88.63 -19.57 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -171.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.418 ' H ' HG13 ' A' ' 120' ' ' ILE . 6.8 m-20 -134.8 82.59 1.97 Allowed 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.553 -169.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -60.17 -22.96 63.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.108 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.49 95.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.872 0.368 . . . . 0.0 111.014 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 86.6 mt -68.26 -34.12 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 9.6 tt0 -62.93 -40.8 98.74 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.945 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -53.53 -37.85 63.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.596 0.56 . . . . 0.0 111.589 -177.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.12 -45.64 47.64 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.7 t -69.22 -49.3 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.989 -177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 11.4 pt-20 -62.23 -25.1 67.62 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.676 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -71.32 -51.91 21.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.496 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 89.2 t -82.88 -49.02 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-O 121.287 0.565 . . . . 0.0 111.387 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -84.74 24.49 1.03 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.344 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 6.9 ptm180 -48.18 140.72 6.99 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.647 -170.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.461 ' HB3' ' HB2' ' A' ' 116' ' ' ARG . 6.5 p90 -117.48 124.55 49.04 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.42 -172.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.24 122.89 23.53 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 172.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.13 -12.11 25.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.694 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.26 -19.85 63.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.942 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -104.21 10.79 35.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.123 0.487 . . . . 0.0 110.528 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 91.9 mt -133.06 99.81 4.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.555 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.33 134.0 94.64 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.389 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.7 144.91 67.64 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.396 2.064 . . . . 0.0 110.994 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -106.32 110.67 22.97 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -171.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -77.88 -144.61 2.27 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.312 171.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.8 m -59.59 140.48 56.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 117.202 0.501 . . . . 0.0 110.991 -177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.63 32.58 2.46 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.075 -176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -68.41 116.8 9.38 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -77.19 -19.27 56.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.238 0.542 . . . . 0.0 110.007 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -91.41 166.69 12.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.554 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -109.45 138.29 46.03 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -133.09 75.4 1.62 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.897 0.379 . . . . 0.0 110.609 -173.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -125.82 33.67 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.229 0.538 . . . . 0.0 111.094 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -98.71 -73.29 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.532 175.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 74.1 t60 . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.339 -0.839 . . . . 0.0 109.184 176.366 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 94.4 mmm . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.522 0.201 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -51.11 -60.28 3.27 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.051 -175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 87.3 m-20 -90.31 33.56 0.89 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -174.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -65.19 -44.96 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.194 -177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.12 -32.46 66.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.193 0.521 . . . . 0.0 109.909 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HD2' ' HB3' ' A' ' 92' ' ' GLU . 25.2 tpp180 -66.19 -35.78 81.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.835 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 26' ' ' ASN . 32.6 mmtp -65.45 -45.75 82.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.313 176.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -32.16 65.24 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.32 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.161 0.505 . . . . 0.0 110.072 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' HB2' HG21 ' A' ' 133' ' ' VAL . 96.2 mt -66.08 -38.73 89.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.348 176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.2 m -63.68 -40.73 97.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.211 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.13 -39.45 92.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.417 176.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 14.3 tpt -61.85 -46.43 89.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.255 176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 20.7 tp -59.44 -44.13 92.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.198 0.523 . . . . 0.0 110.53 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 77.0 mm-40 -67.67 -24.2 65.4 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.471 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.579 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 48.1 m -76.42 -27.33 56.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.289 0.566 . . . . 0.0 110.574 173.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 32.4 t80 -65.91 -34.99 79.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 177.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.618 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 62.4 t -57.16 -50.73 86.5 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.582 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 32.8 Cg_exo -61.63 -28.77 83.06 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 121.762 1.642 . . . . 0.0 112.635 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -72.05 -24.96 61.61 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.033 0.444 . . . . 0.0 110.007 177.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.618 ' HB2' ' O ' ' A' ' 41' ' ' VAL . 23.3 mmm180 -55.49 -42.89 75.05 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.567 175.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.502 ' O ' HD23 ' A' ' 49' ' ' LEU . 19.1 m -51.11 -47.14 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 123.282 0.364 . . . . 0.0 111.527 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.79 97.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.37 0.605 . . . . 0.0 110.512 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.25 -44.89 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.475 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 39.3 mt-10 -70.0 -34.49 73.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.704 0.288 . . . . 0.0 110.831 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 45' ' ' THR . 3.0 mm? -64.03 -43.51 95.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.281 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 p -74.53 -37.27 63.11 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.266 176.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' HB2' HD23 ' A' ' 57' ' ' LEU . . . -54.31 -37.15 64.48 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.528 173.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.3 mt -78.21 -23.24 47.59 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.922 0.391 . . . . 0.0 111.145 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -71.2 -41.23 70.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.89 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -107.42 -12.44 15.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.147 0.499 . . . . 0.0 110.664 -177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.75 -20.54 6.27 Favored Glycine 0 CA--C 1.518 0.252 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.665 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.67 164.97 13.41 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.945 163.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD23 ' HB2' ' A' ' 51' ' ' ALA . 56.8 mt -73.49 -1.37 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 123.332 0.653 . . . . 0.0 111.891 -179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' HA ' ' HD2' ' A' ' 83' ' ' LYS . 1.9 m-20 -48.08 -38.79 18.37 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.5 0.72 . . . . 0.0 112.261 -174.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 p -87.46 -6.45 58.4 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -89.99 69.45 7.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.126 0.489 . . . . 0.0 111.905 -172.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -104.9 154.24 20.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.378 177.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.56 98.41 0.75 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.044 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.18 4.6 5.89 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.137 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -148.54 162.22 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.582 -0.363 . . . . 0.0 110.963 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.8 m120 57.94 47.0 15.71 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.75 -9.08 46.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.901 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.3 mt -93.85 120.38 65.98 Favored Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.51 150.77 52.19 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.348 2.032 . . . . 0.0 111.881 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.8 m -48.92 134.77 14.41 Favored Pre-proline 0 C--O 1.237 0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.182 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -46.18 123.63 6.68 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.131 2.554 . . . . 0.0 112.103 -171.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.2 m -113.02 130.18 56.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.275 -169.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 p -103.02 125.32 49.72 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.373 0.606 . . . . 0.0 110.516 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.468 ' H ' ' HB ' ' A' ' 76' ' ' VAL . 43.3 p -80.25 179.11 7.83 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.567 177.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 74' ' ' ARG . 34.5 ttt180 -53.97 -36.73 63.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.665 0.269 . . . . 0.0 110.896 178.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -94.63 -25.02 16.94 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -176.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.588 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 73.9 t -80.45 124.21 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.551 0.691 . . . . 0.0 110.487 -175.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -82.77 -46.01 13.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.826 -173.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -162.96 147.38 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.459 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 9.1 ptp -156.34 147.84 22.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.831 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 t -140.5 134.67 31.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.65 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 86' ' ' VAL . 23.1 t -114.1 121.42 66.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.16 110.6 7.47 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.163 0.506 . . . . 0.0 110.118 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.449 ' HD2' ' HA ' ' A' ' 58' ' ' ASP . 69.2 mmtt 53.35 46.88 25.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.384 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 82.96 -23.4 5.94 Favored Glycine 0 CA--C 1.52 0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 113.009 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 102' ' ' THR . 46.9 t -71.65 139.83 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 81' ' ' VAL . 36.0 m -129.45 117.46 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.714 0.769 . . . . 0.0 110.262 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 14.4 m -103.56 128.74 50.75 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.242 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 88' ' ' LEU . 2.0 mm? -109.09 144.19 37.45 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.8 m -136.52 137.85 40.72 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.334 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.3 46.39 35.36 Favored Glycine 0 C--N 1.335 0.495 0 CA-C-N 115.432 -0.804 . . . . 0.0 113.424 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.588 ' OE1' ' HA ' ' A' ' 76' ' ' VAL . 28.8 tp60 -93.3 125.43 37.9 Favored 'General case' 0 C--N 1.317 -0.831 0 O-C-N 122.771 -0.252 . . . . 0.0 110.48 -175.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 29' ' ' ARG . 26.8 mm-40 55.76 -133.49 1.54 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.327 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.426 ' H ' ' HB3' ' A' ' 92' ' ' GLU . 27.4 t -67.54 -14.23 62.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.393 . . . . 0.0 110.865 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 35.4 mt -83.18 39.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.373 0.606 . . . . 0.0 110.304 -174.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -61.72 127.1 29.81 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.377 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.66 -13.85 59.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.345 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 7.4 tt -90.84 130.29 36.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.926 0.393 . . . . 0.0 109.983 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.6 m -108.56 122.65 47.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.335 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 87' ' ' SER . 31.6 t -100.58 127.28 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 40.8 t -113.26 102.37 13.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' A' ' 114' ' ' TRP . 54.0 tpp -90.06 110.27 21.28 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 115' ' ' ALA . 37.2 m -111.33 95.17 24.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 -177.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 36.3 Cg_endo -68.13 142.29 55.42 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.115 1.877 . . . . 0.0 110.885 173.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 111' ' ' VAL . . . 109.27 22.75 6.66 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.641 -177.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -126.65 104.16 7.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.918 0.389 . . . . 0.0 110.043 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.438 ' HB2' ' HA3' ' A' ' 113' ' ' GLY . 30.8 t70 -153.36 134.75 14.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.536 178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -69.45 -33.07 72.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.17 -176.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.33 -55.51 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -174.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -99.03 -25.16 14.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.77 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.09 -66.46 0.42 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.351 -0.928 . . . . 0.0 112.749 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.44 ' HA ' ' HA2' ' A' ' 104' ' ' GLY . 12.6 p -95.65 -22.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.87 0.367 . . . . 0.0 111.751 -175.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.35 59.07 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.153 0.502 . . . . 0.0 111.663 -173.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 106' ' ' ASP . . . -162.4 175.49 38.84 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.651 ' HB3' ' SD ' ' A' ' 101' ' ' MET . 29.1 m-90 -135.19 123.55 23.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.542 0.211 . . . . 0.0 110.478 -176.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 102' ' ' THR . . . -89.78 130.98 35.96 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 134' ' ' PHE . 6.4 mpt_? -108.38 133.16 52.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -144.26 128.64 17.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.957 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.97 124.93 43.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.272 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 40.1 m-80 -111.71 102.01 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.506 -0.477 . . . . 0.0 110.442 177.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 120' ' ' ILE . 6.1 tp -138.14 95.15 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.184 172.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -73.44 -15.54 61.34 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -167.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.5 p -102.23 -23.47 14.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.55 94.99 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.73 0.3 . . . . 0.0 111.764 -168.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.3 m -60.84 -25.09 66.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.091 177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.313 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.08 -31.72 71.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.689 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -65.07 -37.0 86.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.004 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -67.34 -35.22 78.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.278 175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.37 70.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.524 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 31.7 p -68.62 -39.26 80.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.43 -26.55 68.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.018 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -68.97 -45.24 71.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.943 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 33' ' ' LEU . 98.9 t -83.16 -46.18 18.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.125 0.488 . . . . 0.0 111.146 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.499 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 97.9 m-85 -84.05 20.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.49 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -49.4 150.46 1.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.441 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.51 ' HB2' HD11 ' A' ' 141' ' ' LEU . 88.3 m-85 -84.99 129.85 34.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.771 -167.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -55.82 126.19 24.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.68 170.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.73 -30.23 69.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.418 -177.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -79.21 -17.71 54.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.668 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -89.93 -0.38 57.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.802 0.81 . . . . 0.0 109.703 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 136' ' ' PHE . 69.6 mt -119.22 112.2 19.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.68 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 143' ' ' PRO . 7.2 p -83.06 115.89 61.31 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.478 . . . . 0.0 110.637 170.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 142' ' ' VAL . 17.4 Cg_exo -67.57 133.56 30.28 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.526 2.151 . . . . 0.0 111.767 177.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -110.51 115.02 28.9 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.13 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 95.15 -166.37 25.78 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.462 -0.875 . . . . 0.0 111.103 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 36.6 p -111.19 119.4 38.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 117.065 0.432 . . . . 0.0 109.978 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 98.17 -13.85 62.93 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.33 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 5.9 mp -89.82 90.41 8.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.055 0.455 . . . . 0.0 109.931 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.12 -33.75 11.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.14 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -69.56 122.22 18.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.589 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -88.69 106.54 18.4 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -77.49 170.88 15.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.153 0.501 . . . . 0.0 111.213 -174.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -81.64 89.16 6.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.438 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -138.52 39.61 2.23 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.652 174.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.645 177.477 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.832 0.348 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.2 73.88 8.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.296 0.57 . . . . 0.0 110.986 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 16.8 m-80 -136.45 35.89 2.71 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.54 175.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -69.13 -41.48 77.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.648 -171.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.44 -44.79 70.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.914 0.388 . . . . 0.0 110.279 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.576 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 15.0 ttp180 -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.291 176.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 26' ' ' ASN . 82.8 tttt -66.03 -42.83 89.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.11 -32.09 73.0 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 122.216 -0.302 . . . . 0.0 111.093 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.52 98.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.173 0.511 . . . . 0.0 109.664 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 85.5 mt -63.6 -33.35 75.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.807 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.517 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 66.8 m -68.23 -38.72 82.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.47 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.65 -40.72 80.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.083 0.468 . . . . 0.0 109.864 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 45.8 tpp -61.13 -41.4 96.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.538 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 tp -59.83 -41.03 90.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.713 174.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.4 mm-40 -64.66 -34.49 78.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.972 179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.556 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 45.5 m -75.27 -30.65 60.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.175 0.512 . . . . 0.0 110.395 175.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -71.29 -34.79 70.98 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.59 179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.55 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 55.5 t -48.65 -51.55 52.05 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD2' ' O ' ' A' ' 39' ' ' THR . 52.0 Cg_exo -54.63 -24.78 38.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.302 2.002 . . . . 0.0 113.305 176.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -75.51 -37.06 60.39 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.434 0.635 . . . . 0.0 109.316 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 97.1 mtt180 -56.9 -43.25 81.17 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.441 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.6 m -51.6 -38.33 54.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.583 0.552 . . . . 0.0 112.04 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.28 93.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.603 0.716 . . . . 0.0 110.22 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.92 -43.12 68.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.373 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 26.4 mm-40 -63.31 -41.32 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.753 -177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 45' ' ' THR . 3.6 mm? -62.46 -41.19 98.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.951 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.6 t -64.14 -45.28 89.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.048 0.451 . . . . 0.0 109.91 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -59.87 -26.2 65.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.845 176.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 93.3 mt -82.76 -31.81 28.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.795 0.331 . . . . 0.0 111.354 177.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -75.12 -44.2 48.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.537 -177.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -108.12 -12.29 15.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.235 0.54 . . . . 0.0 111.077 -175.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 68.5 -20.2 0.36 Allowed Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.2 -0.909 . . . . 0.0 113.698 -178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.62 149.93 18.75 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 119.777 -1.201 . . . . 0.0 113.083 163.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 76.2 mt -74.18 -3.82 32.1 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 122.819 0.448 . . . . 0.0 112.165 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -53.68 -32.02 50.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 111.96 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.8 p -92.23 -3.7 55.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 58.2 m -89.22 70.19 8.26 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.125 0.488 . . . . 0.0 111.832 -170.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -109.51 145.68 35.88 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -67.22 114.49 6.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.556 -175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.31 3.23 25.99 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.298 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.7 t -148.49 167.66 24.76 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 122.816 -0.226 . . . . 0.0 110.736 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 52.45 43.6 30.8 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.34 0.656 . . . . 0.0 112.615 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.7 -10.02 57.64 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.748 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 44.2 mt -91.78 118.66 68.41 Favored Pre-proline 0 N--CA 1.447 -0.578 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 13.1 Cg_exo -68.34 145.67 66.41 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.459 2.106 . . . . 0.0 111.5 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 p -52.78 125.29 38.15 Favored Pre-proline 0 C--O 1.237 0.412 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.478 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.17 130.1 37.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.052 2.501 . . . . 0.0 112.37 -174.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.2 t -120.11 178.14 4.74 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.317 -177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -126.82 126.04 42.7 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 49.0 p -75.01 178.07 5.89 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 172.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -53.94 -43.67 70.03 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.202 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -93.17 -14.83 26.65 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -174.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 52.6 t -81.61 130.94 34.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.183 0.516 . . . . 0.0 110.158 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 t -86.66 -47.13 9.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.787 -172.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -173.07 148.26 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.211 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.5 ptp -162.98 140.29 7.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.861 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.5 m -136.82 140.54 42.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.04 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 t -105.49 115.57 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.697 ' O ' HG22 ' A' ' 85' ' ' VAL . . . -130.61 110.56 11.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.258 0.551 . . . . 0.0 110.497 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 47.13 45.48 16.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.513 -175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.4 -26.19 3.09 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.816 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 82' ' ' ALA . 1.4 m -75.46 141.19 16.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.28 122.93 60.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.36 0.6 . . . . 0.0 110.892 -173.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 p -103.24 124.03 47.86 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.821 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.2 mp -115.01 146.59 41.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.588 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.8 m -132.52 137.64 47.23 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.364 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 49.63 46.97 38.12 Favored Glycine 0 C--N 1.335 0.494 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.949 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.481 HE21 ' HG3' ' A' ' 92' ' ' GLU . 20.8 tp60 -76.22 123.41 25.84 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 -176.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.481 ' HG3' HE21 ' A' ' 91' ' ' GLN . 33.1 mt-10 46.02 -121.33 1.04 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.988 0.515 . . . . 0.0 111.96 -176.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -74.42 -13.24 60.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 62.8 mt -81.93 38.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.236 0.541 . . . . 0.0 110.301 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.26 130.46 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.458 175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 88.54 -15.08 58.04 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.332 -176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 94' ' ' LEU . 9.1 tt -93.31 130.71 38.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.155 0.502 . . . . 0.0 110.198 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.2 t -112.23 128.21 56.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.623 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.81 129.18 53.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.18 105.26 15.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 52.6 ttp -100.02 113.53 26.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.545 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 85' ' ' VAL . 32.0 m -107.01 100.96 35.2 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.185 178.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -69.05 158.48 57.73 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.834 2.356 . . . . 0.0 112.276 178.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 114.47 132.8 5.44 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -61.68 112.17 2.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.013 0.435 . . . . 0.0 110.168 -177.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.462 ' HB3' ' CG2' ' A' ' 111' ' ' VAL . 24.3 t70 -111.46 106.75 15.74 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.235 -177.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -68.15 -27.29 66.3 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.046 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.35 29.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.284 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -84.22 -23.68 30.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.811 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 89.67 25.44 27.67 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.514 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 106' ' ' ASP . 15.5 m -88.23 132.03 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.177 0.513 . . . . 0.0 110.664 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.6 m -71.34 -34.69 70.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.57 -172.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.03 -43.71 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 119.985 -1.102 . . . . 0.0 113.359 -175.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 10.0 m-90 -126.61 128.91 47.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 117.096 0.448 . . . . 0.0 110.943 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.412 ' HB2' HG21 ' A' ' 111' ' ' VAL . . . -89.92 116.22 27.82 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 170.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.454 ' HB2' ' HB2' ' A' ' 135' ' ' ARG . 3.0 mpt_? -108.74 124.12 50.07 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.224 -176.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -127.08 128.96 47.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.868 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 86.2 m -117.14 116.07 26.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.729 0.299 . . . . 0.0 110.305 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' LEU . 20.1 m120 -110.26 106.62 16.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.3 -176.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.495 HG13 ' H ' ' A' ' 123' ' ' ASP . 3.4 tp -135.15 107.18 7.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.174 178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -73.8 -39.43 64.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -172.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.3 m -86.82 -18.08 31.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -170.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.495 ' H ' HG13 ' A' ' 120' ' ' ILE . 12.8 m-20 -139.81 83.26 1.92 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.607 0.242 . . . . 0.0 111.01 -173.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.5 m -59.36 -28.0 66.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.758 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.16 -32.57 74.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.854 0.359 . . . . 0.0 111.364 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 94' ' ' LEU . 78.0 mt -70.17 -30.59 67.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.0 -43.12 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.607 ' O ' ' HB2' ' A' ' 132' ' ' ASP . 94.3 mt-30 -57.38 -47.65 81.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.34 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.09 -46.56 67.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.156 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 46.1 t -61.12 -51.75 67.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.011 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 135' ' ' ARG . 34.4 tt0 -66.07 -31.37 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 110.375 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 128' ' ' GLN . 0.9 OUTLIER -69.93 -41.06 75.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.597 -178.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.6 t -83.01 -48.22 17.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.041 -178.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.435 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 44.2 m-85 -77.5 -20.67 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.233 -172.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 131' ' ' GLU . 74.8 ttt180 -109.34 111.02 22.35 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.198 179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -134.46 108.62 8.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.823 168.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -85.44 156.21 20.92 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 170.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -61.47 -19.68 62.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.154 -171.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.69 -22.98 56.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.071 0.462 . . . . 0.0 110.817 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -93.99 0.59 56.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.049 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 88.4 mt -116.33 100.07 7.64 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.059 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.16 129.86 92.77 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.276 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.5 133.11 55.92 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.27 1.98 . . . . 0.0 111.236 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -72.18 120.23 17.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.38 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -65.72 150.65 51.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.586 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.3 t -68.01 121.62 16.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.44 -18.85 20.17 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.795 -177.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 77.4 mt -85.89 90.56 8.1 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -107.6 -39.65 5.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -174.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -85.23 99.78 11.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.156 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -65.74 107.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.468 0.652 . . . . 0.0 110.854 174.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -144.12 -22.76 0.56 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.293 178.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -120.91 45.98 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.156 0.503 . . . . 0.0 109.697 175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -165.72 -52.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.595 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 . . . . . 0 C--O 1.246 0.886 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.6 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.424 0.154 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.17 76.96 2.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.443 0.64 . . . . 0.0 110.229 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -120.75 25.44 9.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.484 -177.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -70.1 -35.75 74.38 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.212 -173.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.22 -34.78 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.08 0.467 . . . . 0.0 110.052 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -67.54 -35.99 80.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.206 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.13 -46.63 85.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.234 175.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.74 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 174.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.01 98.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.332 0.587 . . . . 0.0 110.178 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -31.98 71.9 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.911 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 72.6 m -62.73 -40.79 98.3 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.793 175.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -66.62 -40.92 89.01 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.036 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -61.41 -47.24 86.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.813 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.453 ' O ' HG23 ' A' ' 41' ' ' VAL . 33.5 tp -61.61 -42.44 98.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.65 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 34' ' ' THR . 29.1 mm-40 -66.48 -28.53 68.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.489 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.483 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 55.0 m -77.25 -33.36 55.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.195 0.522 . . . . 0.0 110.719 173.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -70.13 -36.82 75.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.645 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 99.0 t -57.0 -49.82 91.79 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 77.6 Cg_exo -51.64 -36.06 59.45 Favored 'Trans proline' 0 C--N 1.357 0.994 0 C-N-CA 122.338 2.025 . . . . 0.0 113.059 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.1 m-85 -72.01 -34.51 68.9 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.253 0.549 . . . . 0.0 109.76 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.552 ' NH2' HG21 ' A' ' 47' ' ' VAL . 5.2 mmp_? -60.59 -40.23 90.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.052 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 24.9 m -53.69 -41.42 66.91 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.049 173.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.33 -34.24 74.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.771 0.796 . . . . 0.0 110.326 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.552 HG21 ' NH2' ' A' ' 44' ' ' ARG . 87.6 t -71.16 -39.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.467 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 45' ' ' THR . 11.9 pt-20 -67.05 -32.94 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.746 0.308 . . . . 0.0 110.261 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.2 mt -60.97 -44.37 97.45 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.5 t -63.59 -32.6 74.12 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.396 174.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.83 -40.0 76.11 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.467 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.42 -25.01 45.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.003 -176.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -62.5 -43.71 98.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -108.43 -13.05 14.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.134 0.493 . . . . 0.0 110.598 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.47 -19.77 5.62 Favored Glycine 0 CA--C 1.518 0.263 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.088 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -116.21 145.83 18.75 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.656 164.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.4 mt -72.3 -3.06 21.55 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.771 0.428 . . . . 0.0 111.276 178.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.11 -31.23 18.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.075 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.7 p -94.87 5.47 51.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.923 0.392 . . . . 0.0 112.038 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 78.0 m -101.71 73.88 1.46 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.427 0.632 . . . . 0.0 110.922 -177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -109.34 159.1 17.26 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.899 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.07 108.34 2.41 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.768 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.08 6.49 12.31 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.857 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -148.63 160.66 42.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 117.275 0.538 . . . . 0.0 111.49 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 53.41 46.67 25.8 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.455 -0.793 . . . . 0.0 113.053 173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 -13.25 60.35 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.03 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.5 mt -95.75 122.14 59.52 Favored Pre-proline 0 N--CA 1.448 -0.574 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.45 150.86 70.62 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.439 2.093 . . . . 0.0 112.479 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.8 m -50.73 140.82 18.86 Favored Pre-proline 0 C--O 1.235 0.293 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.894 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.543 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 23.4 Cg_endo -61.2 124.59 15.12 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.533 2.155 . . . . 0.0 111.831 -175.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.0 t -136.4 167.62 21.0 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.783 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.413 HG22 HG12 ' A' ' 76' ' ' VAL . 18.4 p -117.06 126.39 52.78 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.606 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 82.2 p -80.76 177.1 9.25 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -53.49 -39.17 64.33 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -174.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -100.0 12.73 36.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.413 HG12 HG22 ' A' ' 72' ' ' THR . 90.6 t -112.5 130.8 65.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.358 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 m -97.91 -39.34 9.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.723 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.505 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -146.34 154.3 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.13 -174.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.543 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -163.01 160.16 24.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.324 -177.044 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.3 m -155.2 135.85 13.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.342 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 85' ' ' VAL . 40.9 t -128.79 121.5 54.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.19 110.69 5.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.967 0.413 . . . . 0.0 111.035 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.8 mttt 48.81 48.11 20.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.504 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.99 -23.3 18.21 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 116.17 -0.468 . . . . 0.0 113.115 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 81' ' ' VAL . 62.3 t -65.7 133.27 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.89 109.86 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.217 0.532 . . . . 0.0 110.246 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 79' ' ' MET . 34.3 t -104.93 125.74 51.26 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.553 179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 98' ' ' SER . 2.1 mm? -113.01 147.35 37.35 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 29.4 m -150.43 145.38 26.02 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 47.29 46.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 119.886 -1.149 . . . . 0.0 112.575 -179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -96.08 122.48 38.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 43.67 -119.84 0.64 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.042 0.537 . . . . 0.0 112.388 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 t -75.64 -14.36 60.36 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.049 0.452 . . . . 0.0 111.597 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 79.0 mt -84.62 40.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.706 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -53.32 136.35 37.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.421 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.55 -22.21 4.85 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.89 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 89' ' ' THR . 9.4 tt -79.37 138.29 37.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.028 0.414 . . . . 0.0 110.566 -175.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 88' ' ' LEU . 7.5 t -118.55 129.03 55.11 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.272 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 117' ' ' ASN . 59.0 t -109.11 129.61 63.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.6 t -118.87 103.73 14.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.072 -175.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 116' ' ' ARG . 29.9 tpp -83.02 109.57 17.22 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 103' ' ' PRO . 6.0 m -114.68 117.37 42.47 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.857 -174.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 25.6 Cg_exo -64.07 127.94 20.57 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.124 1.883 . . . . 0.0 111.84 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.39 37.72 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 176.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.588 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 19.0 t90 -121.21 90.43 3.32 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.55 -16.62 16.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.151 -0.932 . . . . 0.0 113.201 -169.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -64.43 -26.97 68.68 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.182 -0.324 . . . . 0.0 111.78 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.84 -55.23 4.53 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -172.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -110.4 16.32 21.68 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.38 -57.95 2.86 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.419 -177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.43 -30.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.784 0.326 . . . . 0.0 111.217 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.3 p -128.22 -169.72 2.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.218 178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.588 ' HA3' ' O ' ' A' ' 105' ' ' TRP . . . 156.54 175.0 27.0 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -117.47 124.09 47.93 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 117.293 0.546 . . . . 0.0 111.101 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.86 141.26 29.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.73 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.555 ' HG3' ' SD ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -108.62 140.93 41.3 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.125 -177.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 22.9 m120 -143.28 123.69 13.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.912 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 73.4 m -103.72 114.84 29.4 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -116.56 106.02 13.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.269 0.557 . . . . 0.0 111.256 -176.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -134.37 108.68 11.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 172.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.84 -39.6 66.43 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -165.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 p -96.29 -18.46 19.98 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -133.21 89.7 2.64 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.874 -169.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 128' ' ' GLN . 35.3 m -61.0 -25.83 67.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.793 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.19 70.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.014 0.435 . . . . 0.0 111.519 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.47 -37.27 60.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.09 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 31.7 tt0 -65.95 -43.89 86.65 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.601 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 124' ' ' SER . 98.9 mt-30 -52.71 -37.32 58.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.426 0.454 . . . . 0.0 111.36 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.4 -47.1 29.0 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.163 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.7 t -66.69 -49.09 67.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.131 -176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 4.4 pt-20 -65.99 -23.82 66.65 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 -176.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.65 -48.66 71.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.969 0.414 . . . . 0.0 110.296 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.65 -49.01 18.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.32 -176.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.62 21.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.455 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 131' ' ' GLU . 9.7 ptm180 -48.57 139.92 8.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 122.163 0.983 . . . . 0.0 113.448 -168.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 141' ' ' LEU . 5.3 p90 -134.81 122.21 21.75 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 113.946 -1.479 . . . . 0.0 109.851 -175.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -78.82 147.66 33.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.863 0.363 . . . . 0.0 110.061 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -77.99 17.65 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.565 -174.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -83.93 -34.72 24.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 110.032 174.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -82.03 -22.51 36.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.747 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 136' ' ' PHE . 62.9 mt -95.72 117.86 31.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.613 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 143' ' ' PRO . 4.9 p -52.91 123.47 32.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.659 174.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 142' ' ' VAL . 2.9 Cg_exo -75.04 160.71 39.72 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.016 2.477 . . . . 0.0 112.272 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -78.65 115.29 18.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.057 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 97.77 103.3 2.25 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.381 -0.914 . . . . 0.0 111.108 -175.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.9 m -70.25 120.68 16.29 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.919 0.39 . . . . 0.0 110.721 -175.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 83.85 -4.36 82.85 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.61 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.7 mt -100.95 89.24 3.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.009 0.433 . . . . 0.0 110.365 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -83.29 -43.64 15.8 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -99.2 95.09 6.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.505 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -72.46 105.34 4.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.013 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -69.85 129.69 40.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.702 -175.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -165.51 135.3 3.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.261 178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -135.27 23.87 3.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.328 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 C--O 1.248 0.986 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.36 -175.645 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.822 0.344 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.489 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.2 pt-20 -88.21 -177.85 5.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.156 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.489 HD22 ' HG3' ' A' ' 25' ' ' GLU . 54.6 m-80 67.55 15.18 9.75 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.551 0.532 . . . . 0.0 111.532 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.38 -41.87 72.5 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.998 -172.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.45 -42.45 98.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.271 0.558 . . . . 0.0 110.175 176.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 19.4 ttp180 -67.95 -34.42 76.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.826 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 26' ' ' ASN . 54.2 mttm -56.55 -51.46 68.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.188 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.41 -37.96 76.4 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.26 88.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 109.971 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 70.4 mt -68.86 -36.48 78.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.574 178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.9 m -67.33 -38.27 84.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.169 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.07 -39.72 82.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.235 0.541 . . . . 0.0 109.897 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.723 ' SD ' ' HG2' ' A' ' 91' ' ' GLN . 16.1 ttt -59.48 -47.52 85.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.8 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 36.8 tp -62.76 -41.36 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.406 177.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -64.26 -30.57 71.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.861 -179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.547 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 31.5 m -75.13 -31.77 61.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.381 0.61 . . . . 0.0 110.412 177.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -71.36 -35.08 71.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.22 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.558 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 71.0 t -47.37 -51.89 39.94 Favored Pre-proline 0 CA--C 1.542 0.64 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -177.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.558 ' HD3' ' HB ' ' A' ' 41' ' ' VAL . 53.0 Cg_exo -55.2 -37.5 94.24 Favored 'Trans proline' 0 C--N 1.356 0.931 0 C-N-CA 122.0 1.8 . . . . 0.0 112.925 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -67.96 -26.12 65.78 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.421 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 55.3 mtm180 -58.28 -43.52 88.02 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.451 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.9 m -51.36 -40.09 58.45 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.392 0.432 . . . . 0.0 112.033 177.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.36 87.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.562 0.696 . . . . 0.0 110.142 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.5 t -72.49 -42.54 64.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.284 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 44' ' ' ARG . 40.2 mt-10 -62.29 -44.73 95.84 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.81 -178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.57 -43.36 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.627 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 t -64.78 -48.42 74.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.459 177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' HA2' ' A' ' 55' ' ' GLY . . . -63.48 -23.72 67.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.032 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 48' ' ' GLU . 92.0 mt -83.27 -50.11 8.73 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -70.02 -33.85 72.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.902 -172.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -106.47 -12.5 15.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.486 0.66 . . . . 0.0 109.899 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 51' ' ' ALA . . . 67.07 -20.52 0.22 Allowed Glycine 0 CA--C 1.521 0.457 0 CA-C-N 114.829 -1.078 . . . . 0.0 114.058 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.27 151.7 18.35 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.691 -1.243 . . . . 0.0 113.064 164.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.695 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 17.7 mt -73.56 -3.0 25.17 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.072 0.549 . . . . 0.0 111.772 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.28 -38.08 50.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.845 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 p -90.78 6.24 45.03 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 16.0 m -100.49 54.93 0.88 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.069 0.461 . . . . 0.0 110.207 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.489 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t70 -109.12 134.01 52.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.463 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.07 113.08 3.86 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.202 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.8 -4.71 22.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.28 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.6 p -148.3 174.39 12.06 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 -178.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 61.33 29.64 18.68 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.788 0.328 . . . . 0.0 111.812 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.07 -8.33 70.94 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.427 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 47.8 mt -92.88 121.31 66.15 Favored Pre-proline 0 N--CA 1.447 -0.577 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 67' ' ' ILE . 20.4 Cg_exo -65.13 145.48 84.69 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.462 2.108 . . . . 0.0 111.889 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.1 m -46.39 136.18 7.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.355 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -49.12 125.07 12.62 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.56 2.84 . . . . 0.0 112.883 -171.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.6 p -94.92 135.71 36.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.224 -176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.6 p -103.58 126.04 50.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.141 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.8 p -74.89 176.62 6.95 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.455 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -55.96 -43.07 77.16 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.14 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -90.97 -19.21 23.5 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.544 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 49.1 t -81.74 130.84 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.227 0.537 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -84.42 -52.51 6.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.419 -173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -161.13 142.18 11.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.597 0.237 . . . . 0.0 110.706 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 22.4 ptm -161.37 143.44 11.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.25 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 31.4 t -133.64 145.15 49.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.734 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.27 115.33 46.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -128.47 108.81 10.85 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 46.45 48.44 13.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.669 -1.151 . . . . 0.0 110.976 -176.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.89 -24.35 6.85 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.395 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.6 t -70.86 133.45 31.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 80' ' ' SER . 58.8 t -129.4 112.18 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.044 0.449 . . . . 0.0 110.662 -172.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 m -104.87 124.08 48.85 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.028 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mp -112.16 148.44 34.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 m -140.42 149.52 42.7 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.293 -0.563 . . . . 0.0 112.294 -173.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 48.87 46.1 31.89 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 114.942 -1.026 . . . . 0.0 114.762 173.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.723 ' HG2' ' SD ' ' A' ' 36' ' ' MET . 31.9 tp60 -88.66 124.45 34.1 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.831 -176.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' HG2' HE21 ' A' ' 91' ' ' GLN . 4.7 mm-40 45.84 -117.76 0.71 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.521 178.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.6 t -74.25 -14.62 60.95 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.003 0.43 . . . . 0.0 110.832 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.46 ' HB3' ' HB3' ' A' ' 97' ' ' LEU . 63.2 mt -89.58 37.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.188 0.518 . . . . 0.0 110.619 -175.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -53.55 133.01 41.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.574 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.15 -20.16 22.74 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.978 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.53 HD11 ' SG ' ' A' ' 118' ' ' CYS . 10.5 tt -86.69 143.96 27.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.887 0.375 . . . . 0.0 110.77 -175.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.3 m -124.67 127.96 48.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.284 177.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.5 t -102.59 129.4 54.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.41 108.63 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.127 0.489 . . . . 0.0 110.26 -175.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 47.9 ttp -91.56 111.5 23.04 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' ' HB3' ' A' ' 115' ' ' ALA . 11.8 m -115.72 82.55 10.46 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.823 -178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.418 ' HG2' HD13 ' A' ' 57' ' ' LEU . 29.2 Cg_endo -65.51 131.0 26.56 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.266 1.978 . . . . 0.0 111.984 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 106.54 134.21 7.62 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 28.0 t90 62.69 39.65 10.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 122.503 1.144 . . . . 0.0 108.151 -170.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -72.07 -6.26 41.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.451 -175.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -53.7 -31.6 48.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.885 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -67.36 -22.92 65.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 0.0 111.332 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -105.51 -27.95 11.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.89 -9.21 70.67 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.01 -0.615 . . . . 0.0 112.163 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.01 96.83 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.77 0.319 . . . . 0.0 110.334 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.1 p -59.71 128.51 37.31 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.503 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.29 -65.7 0.55 Allowed Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.007 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -139.42 123.2 17.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -88.66 130.73 35.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 176.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.496 ' HB2' ' HG2' ' A' ' 135' ' ' ARG . 6.4 mmm180 -109.68 120.7 43.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.361 -173.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.22 136.9 53.38 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.53 ' SG ' HD11 ' A' ' 97' ' ' LEU . 46.9 t -124.65 123.94 41.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -124.87 109.52 13.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.005 0.431 . . . . 0.0 111.9 -174.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 3.8 tp -134.6 110.88 13.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -71.65 -40.31 69.76 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -167.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.9 m -109.05 12.26 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -170.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -152.59 90.26 1.47 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.969 0.414 . . . . 0.0 111.962 -178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.3 m -60.83 -28.16 68.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.578 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.65 79.27 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.773 0.32 . . . . 0.0 111.463 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.12 -34.37 77.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -68.08 -38.23 82.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 176.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -53.96 -42.7 69.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.681 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.94 35.0 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.833 176.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.1 t -64.23 -53.53 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.995 -174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 135' ' ' ARG . 0.1 OUTLIER -68.36 -26.86 65.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.024 0.44 . . . . 0.0 110.318 -175.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -68.89 -40.23 79.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 93.7 t -82.34 -40.06 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -83.08 -18.76 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 131' ' ' GLU . 57.8 mtp180 -111.08 109.09 19.02 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.581 176.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -116.86 104.95 11.83 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 160.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.571 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 14.6 m-20 -69.67 125.58 27.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.016 174.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.56 -14.96 48.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.624 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -77.87 -31.37 51.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.525 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -83.06 -19.48 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 137' ' ' ASP . 52.9 mt -87.85 165.34 15.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.534 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 64.9 t -95.68 124.07 53.96 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -66.31 132.96 31.04 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.017 1.811 . . . . 0.0 111.367 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -122.63 113.38 19.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.511 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -173.48 154.8 20.97 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.576 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.6 m -64.58 162.38 15.65 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 173.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.45 30.9 4.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.167 -1.016 . . . . 0.0 112.352 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.9 mp -75.55 111.17 10.58 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.426 ' H ' ' CD ' ' A' ' 149' ' ' GLU . 0.0 OUTLIER -87.74 -27.24 22.48 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.602 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -75.42 99.06 4.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.49 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -55.69 129.39 38.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.492 178.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -82.55 52.27 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -171.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -143.19 102.39 3.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -132.0 49.08 2.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.002 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.836 -177.577 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.441 ' HG3' ' HG3' ' A' ' 25' ' ' GLU . 26.4 ptm . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.538 0.208 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HG3' ' HG3' ' A' ' 24' ' ' MET . 44.4 mt-10 -110.87 89.9 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.011 0.434 . . . . 0.0 110.887 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -112.53 9.28 19.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.068 177.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -61.49 -45.85 92.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 111.352 -174.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.5 mt -74.7 -34.96 62.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.602 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 33.8 ttm180 -59.1 -41.92 89.28 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.739 174.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -57.93 -49.79 75.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.494 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.59 -31.91 72.91 Favored 'General case' 0 C--N 1.334 -0.069 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.529 0.68 . . . . 0.0 109.45 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 29' ' ' ARG . 68.2 mt -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.812 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 38' ' ' GLN . 33.4 m -65.59 -41.92 92.29 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.228 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -67.31 -40.38 85.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.79 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.5 tpt -63.45 -42.27 98.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 41' ' ' VAL . 41.6 tp -57.97 -41.75 83.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.687 176.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 34' ' ' THR . 28.6 mm-40 -61.18 -34.26 74.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.423 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.572 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 39.2 m -75.7 -32.51 60.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.308 0.575 . . . . 0.0 110.773 177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.493 ' HE1' ' SD ' ' A' ' 101' ' ' MET . 32.3 t80 -71.44 -35.07 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.573 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 37' ' ' LEU . 72.4 t -49.08 -51.12 58.9 Favored Pre-proline 0 CA--C 1.542 0.644 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.572 ' HD2' ' O ' ' A' ' 39' ' ' THR . 51.8 Cg_exo -54.76 -32.46 76.59 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.015 1.81 . . . . 0.0 113.376 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -72.99 -27.79 62.01 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.154 -0.341 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 mtm180 -61.97 -37.93 86.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.162 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.43 ' O ' HD23 ' A' ' 49' ' ' LEU . 11.1 m -52.87 -45.13 67.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.579 173.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.78 -34.29 76.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.561 0.696 . . . . 0.0 109.908 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.483 ' HA ' ' SG ' ' A' ' 50' ' ' CYS . 98.0 t -68.47 -39.68 81.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.585 -1.188 . . . . 0.0 110.123 176.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -61.85 -40.21 94.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.032 0.444 . . . . 0.0 110.225 176.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 45' ' ' THR . 4.0 mm? -62.33 -45.89 91.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.402 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 47' ' ' VAL . 25.2 p -77.05 -21.62 54.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.692 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.95 63.86 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.29 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.7 mt -81.12 -16.32 53.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -68.43 -34.8 76.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.569 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -107.25 -13.15 15.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 109.251 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.49 -20.5 6.05 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.239 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -115.93 158.09 14.63 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.399 161.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 mt -71.79 -1.75 15.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.193 0.597 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.77 -34.91 13.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.841 -178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.3 p -87.63 9.86 19.92 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' HA ' HD12 ' A' ' 67' ' ' ILE . 85.2 m -105.82 58.22 0.66 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.174 178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' A' ' 82' ' ' ALA . 32.2 t70 -106.68 140.01 40.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.764 -177.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.39 101.91 1.67 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.132 -177.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.86 5.91 23.36 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.96 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.0 t -148.14 161.11 42.1 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 120.73 0.3 . . . . 0.0 110.719 -177.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 59.64 38.44 22.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.653 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.5 -18.99 34.64 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.748 177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 60' ' ' CYS . 53.6 mt -86.18 126.65 64.4 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.87 162.36 39.46 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.111 1.874 . . . . 0.0 112.355 -177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t -43.46 137.54 3.01 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.257 173.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.611 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 5.2 Cg_endo -46.48 142.7 9.26 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 124.208 3.272 . . . . 0.0 113.516 -170.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m -98.6 140.65 32.5 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.693 -175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.36 177.25 4.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.121 0.486 . . . . 0.0 110.942 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.7 p -142.33 175.64 9.61 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -61.7 -41.69 97.93 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.076 176.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.644 ' HB3' ' NE2' ' A' ' 91' ' ' GLN . 19.5 m-85 -82.74 -19.2 38.38 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -93.33 126.53 45.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.088 0.471 . . . . 0.0 110.841 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 t -91.63 -36.24 13.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.37 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.549 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -150.74 152.4 33.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.028 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.611 ' SD ' ' HB2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -149.32 168.27 23.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.396 0.617 . . . . 0.0 112.121 -174.412 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.468 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 39.3 t -163.04 136.36 5.78 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.751 176.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.06 113.93 27.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HA ' ' OD2' ' A' ' 61' ' ' ASP . . . -135.72 111.03 9.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.946 0.403 . . . . 0.0 110.311 -176.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 51.33 44.33 28.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.591 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 87.48 -24.91 8.87 Favored Glycine 0 CA--C 1.519 0.328 0 CA-C-N 115.929 -0.578 . . . . 0.0 113.417 -179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.3 t -69.84 129.75 34.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 80' ' ' SER . 61.8 t -128.93 111.27 22.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 -172.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 33.0 t -104.64 120.88 42.36 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.772 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mp -113.85 123.84 50.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 30.8 m -115.97 148.85 39.65 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.807 0.337 . . . . 0.0 111.316 -172.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.11 46.88 55.98 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.151 -0.931 . . . . 0.0 114.009 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.644 ' NE2' ' HB3' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -78.99 121.15 24.56 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.407 ' HG3' ' HB3' ' A' ' 75' ' ' TYR . 41.2 mt-10 34.79 -112.94 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -173.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.2 t -74.7 -13.89 60.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.422 -175.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 65.6 mt -84.38 37.92 0.65 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.176 0.512 . . . . 0.0 110.294 -176.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.07 135.65 56.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.261 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.66 -10.46 62.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.632 -176.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.4 tt -100.1 138.51 37.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.958 0.408 . . . . 0.0 110.426 -177.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.2 m -118.29 121.08 39.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.356 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.547 HG22 ' SG ' ' A' ' 130' ' ' CYS . 21.6 t -90.09 119.81 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 175.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.0 t -113.06 102.92 14.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -177.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.493 ' SD ' ' HE1' ' A' ' 40' ' ' PHE . 56.8 ttp -87.09 110.84 20.37 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 177.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.5 m -107.72 90.36 6.17 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.171 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 113' ' ' GLY . 58.3 Cg_endo -75.2 142.35 27.17 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.437 2.091 . . . . 0.0 111.826 176.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -174.07 -156.03 12.98 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.545 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 20.9 p-90 -128.91 27.87 5.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.287 0.565 . . . . 0.0 109.859 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -75.64 73.3 2.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.851 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -63.91 -26.4 68.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.48 -28.61 68.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.797 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.416 ' N ' HD22 ' A' ' 109' ' ' ASN . 0.9 OUTLIER -77.27 -22.19 52.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.452 0.644 . . . . 0.0 109.608 176.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.46 13.8 77.67 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 114.726 -1.124 . . . . 0.0 112.334 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.8 m -82.91 130.94 34.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.045 0.45 . . . . 0.0 110.301 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 1.4 p -81.19 69.78 7.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.795 -176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 103' ' ' PRO . . . 80.27 -62.19 4.3 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.182 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 18.6 m-90 -103.95 123.42 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.625 0.25 . . . . 0.0 110.351 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -95.07 134.74 37.44 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -113.28 121.99 46.09 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.159 0.505 . . . . 0.0 111.472 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -131.77 113.32 13.38 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.253 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.5 114.58 28.97 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -104.43 105.22 15.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.147 0.499 . . . . 0.0 110.678 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 4.5 tp -135.68 95.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.019 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -74.97 -20.71 59.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.405 -167.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 55.5 p -99.34 -15.49 18.78 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 -175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -145.7 80.5 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.776 0.322 . . . . 0.0 111.045 -171.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.8 m -59.77 -24.94 64.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.828 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.44 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.4 mt -68.05 -32.82 73.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.314 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.82 -41.42 83.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.524 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.44 -41.35 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.861 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.33 -48.14 24.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.039 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.547 ' SG ' HG22 ' A' ' 99' ' ' VAL . 42.0 t -62.27 -52.81 62.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.115 -174.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.88 -33.46 75.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.121 0.486 . . . . 0.0 110.617 -175.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -69.98 -38.6 76.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.161 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 75.8 t -80.97 -46.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -71.57 -18.6 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -110.67 112.54 24.5 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.358 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -123.23 107.56 11.83 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.497 168.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.05 116.34 18.45 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 170.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.21 -24.75 68.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.974 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.22 -23.74 57.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -88.6 -27.6 21.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.993 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 97.3 mt -88.88 106.51 18.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.429 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.7 p -103.53 115.0 64.39 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-O 121.246 0.546 . . . . 0.0 110.291 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -75.97 133.62 15.37 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 122.539 2.159 . . . . 0.0 112.009 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -114.86 99.76 7.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.978 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 47.26 -144.51 5.11 Favored Glycine 0 C--N 1.335 0.49 0 CA-C-N 116.28 -0.418 . . . . 0.0 113.653 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 29.6 m -76.75 161.8 28.2 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 174.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.64 14.27 10.58 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.492 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.5 125.14 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.92 -37.99 87.5 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.939 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -95.19 74.95 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.377 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -95.14 127.52 41.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.625 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -60.84 110.23 1.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.58 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -76.26 117.11 17.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.474 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -93.48 -24.27 18.07 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 75.6 t60 . . . . . 0 C--O 1.25 1.109 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.343 -179.662 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 72.3 mtm . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -143.75 89.77 2.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.516 -176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m120 60.89 81.85 0.18 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.81 0.694 . . . . 0.0 111.391 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.17 -30.59 69.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.612 0.244 . . . . 0.0 111.277 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -72.4 -43.07 64.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' O ' HD13 ' A' ' 33' ' ' LEU . 38.4 ttm180 -66.59 -36.63 83.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.759 173.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -57.05 -46.28 82.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.097 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.15 -37.89 75.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.808 177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.19 78.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.304 0.573 . . . . 0.0 110.062 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 29' ' ' ARG . 4.7 mp -63.99 -41.0 97.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.161 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 m -66.85 -37.25 84.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.505 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.87 -41.93 82.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.208 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 15.4 tpt -64.1 -39.89 95.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.144 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.2 tp -62.89 -41.93 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.464 176.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -68.0 -30.19 69.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.0 178.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.624 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 54.3 m -75.19 -27.48 59.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.17 0.509 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -70.03 -33.99 72.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.593 ' HB ' ' HD3' ' A' ' 42' ' ' PRO . 87.3 t -50.46 -51.96 59.52 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.624 ' HD2' ' O ' ' A' ' 39' ' ' THR . 47.1 Cg_exo -58.31 -25.44 72.67 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 122.258 1.972 . . . . 0.0 113.24 176.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -75.27 -34.59 61.37 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.524 0.678 . . . . 0.0 109.19 178.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 48' ' ' GLU . 39.2 mtm180 -61.21 -34.16 74.64 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.113 -0.948 . . . . 0.0 110.195 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.608 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 25.6 m -50.84 -40.36 55.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.57 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.26 80.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.681 0.753 . . . . 0.0 110.009 177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.35 -41.25 73.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.329 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 44' ' ' ARG . 44.7 mm-40 -64.41 -35.07 79.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.433 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 45' ' ' THR . 95.9 mt -61.42 -45.75 92.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.96 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.7 t -67.15 -45.62 76.5 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.568 177.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.07 71.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.752 178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.6 tp -81.47 -21.54 38.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.844 0.354 . . . . 0.0 110.969 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -78.45 -48.19 15.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.796 0.332 . . . . 0.0 111.016 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -110.05 -13.68 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.62 -19.75 3.08 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 119.993 -0.337 . . . . 0.0 113.534 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -109.73 145.16 16.86 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 119.416 -1.373 . . . . 0.0 113.376 165.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HA ' ' SG ' ' A' ' 60' ' ' CYS . 85.0 mt -74.92 -9.0 58.12 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 122.458 0.303 . . . . 0.0 111.713 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.4 -34.69 58.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.024 0.44 . . . . 0.0 111.741 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.9 p -82.55 -7.35 59.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.238 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' A' ' 57' ' ' LEU . 24.1 m -89.16 70.62 8.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 110.524 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -110.26 152.13 26.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.05 85.45 0.9 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.356 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.32 15.98 2.94 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.526 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.4 m -149.42 159.71 44.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.903 0.352 . . . . 0.0 110.802 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 54.7 41.21 32.09 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.158 0.583 . . . . 0.0 112.035 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.44 -19.17 25.09 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 113.172 176.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 60' ' ' CYS . 34.9 mt -84.42 120.96 75.0 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.12 156.39 33.74 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.316 2.011 . . . . 0.0 112.167 -177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -54.02 136.64 57.29 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.327 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HB2' ' SD ' ' A' ' 79' ' ' MET . 30.5 Cg_endo -62.35 156.15 53.0 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 123.101 2.534 . . . . 0.0 112.867 -174.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.3 p -116.31 162.39 17.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.999 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.9 p -112.14 124.33 52.19 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.7 p -89.46 177.58 6.53 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -53.43 -43.62 68.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -98.87 16.52 22.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG22 HE22 ' A' ' 91' ' ' GLN . 98.4 t -104.75 129.61 57.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.0 t -92.78 -42.07 9.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.408 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 89' ' ' THR . . . -154.38 160.96 41.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.051 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -160.4 156.93 26.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.523 -176.392 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 86' ' ' VAL . 77.6 p -157.21 141.68 16.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.868 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.415 HG22 HG12 ' A' ' 86' ' ' VAL . 34.4 t -123.12 120.14 59.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.11 109.7 5.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.456 . . . . 0.0 110.083 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 mttm 54.25 41.34 32.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.237 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.76 -22.87 8.35 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 115.96 -0.564 . . . . 0.0 113.096 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.499 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 44.0 t -69.93 134.04 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 80' ' ' SER . 24.4 m -135.08 119.88 28.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.527 0.68 . . . . 0.0 110.872 -174.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 79' ' ' MET . 16.3 m -103.51 120.69 41.34 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.343 175.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' N ' HD22 ' A' ' 88' ' ' LEU . 1.8 mm? -114.44 111.19 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.113 -177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.504 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 33.3 m -106.49 148.16 28.52 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.536 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.75 47.84 82.47 Favored Glycine 0 C--N 1.333 0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.436 -178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.468 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 25.2 tp60 -89.06 126.16 35.32 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 54.44 -141.45 0.86 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.172 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -65.49 -12.43 52.54 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 121.046 0.45 . . . . 0.0 111.469 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 97' ' ' LEU . 35.7 mt -80.76 40.57 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 123.166 0.586 . . . . 0.0 110.858 -173.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -55.57 138.45 46.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.065 0.46 . . . . 0.0 110.535 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.25 -19.69 21.28 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.662 -174.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.53 ' HB3' ' O ' ' A' ' 94' ' ' LEU . 9.8 tt -88.93 139.38 30.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.2 t -120.09 123.28 43.0 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.977 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 87' ' ' SER . 23.7 t -96.11 126.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 43.0 t -114.96 102.73 14.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 38.6 ttm -98.61 110.65 23.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.936 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 26.2 m -111.84 97.79 39.09 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.945 -177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.499 ' HD2' ' HA ' ' A' ' 85' ' ' VAL . 23.1 Cg_endo -64.2 129.87 25.5 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.064 1.843 . . . . 0.0 110.977 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.16 -46.5 5.57 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.364 -177.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 58.79 27.69 16.37 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 122.028 0.918 . . . . 0.0 109.283 -175.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -101.03 84.15 2.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.993 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -65.01 -25.26 67.78 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.358 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.35 -40.73 81.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.992 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -94.54 -0.15 54.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.109 0.48 . . . . 0.0 110.808 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.19 9.46 85.58 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.467 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.8 t -100.52 67.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.548 0.69 . . . . 0.0 109.958 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.4 t -90.7 -11.28 40.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.34 0.59 . . . . 0.0 109.762 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.05 -149.37 13.03 Favored Glycine 0 N--CA 1.444 -0.829 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.603 -178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.464 ' HA ' ' HA ' ' A' ' 103' ' ' PRO . 21.4 m-90 -112.71 135.4 53.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 0.0 111.62 -174.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.98 120.48 31.23 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 169.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -109.32 140.05 43.49 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.05 0.453 . . . . 0.0 110.852 -177.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.446 HD21 ' HA ' ' A' ' 154' ' ' HIS . 28.8 t-20 -142.21 124.63 15.68 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.609 174.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 62.4 m -104.76 114.54 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -109.34 105.88 15.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 5.0 tp -135.43 104.21 4.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.252 175.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.05 -38.39 66.51 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -168.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -98.65 0.64 45.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -174.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -145.67 75.77 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.495 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.5 m -59.24 -19.93 49.9 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.676 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.85 -40.33 97.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.5 -32.8 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.188 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 8.3 tt0 -61.09 -48.36 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 177.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -62.23 -33.58 74.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.286 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.14 -41.96 60.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.002 0.43 . . . . 0.0 110.472 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.416 ' HB2' HD13 ' A' ' 94' ' ' LEU . 48.8 t -64.81 -52.4 56.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.107 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 127' ' ' GLN . 12.2 pt-20 -61.84 -24.15 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.381 -178.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.17 -51.28 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.882 0.372 . . . . 0.0 110.695 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.53 -48.52 17.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.414 0.626 . . . . 0.0 111.23 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -81.62 24.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.201 -0.908 . . . . 0.0 110.892 -177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -51.34 145.82 7.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.85 0.833 . . . . 0.0 112.662 -171.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 141' ' ' LEU . 0.4 OUTLIER -91.44 131.55 36.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.585 -178.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -61.4 134.65 57.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.247 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -69.14 0.25 4.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.201 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -76.15 -21.22 56.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.755 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -101.17 10.31 41.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.552 0.691 . . . . 0.0 110.121 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 136' ' ' PHE . 80.2 mt -127.22 92.63 3.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.846 -176.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 5.8 p -71.33 116.94 52.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 171.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.66 132.75 12.3 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.061 1.841 . . . . 0.0 112.211 -174.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -105.43 96.99 6.9 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 80.17 170.69 41.77 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 111.094 -0.803 . . . . 0.0 111.094 -171.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.5 m -108.83 154.54 21.95 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.283 0.542 . . . . 0.0 110.29 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.15 33.94 3.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.0 -1.095 . . . . 0.0 112.759 177.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -84.71 90.02 7.63 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.137 0.494 . . . . 0.0 110.416 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -97.96 -13.16 21.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.437 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -135.82 127.38 28.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -110.13 152.9 25.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.678 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -130.54 23.18 5.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.064 0.459 . . . . 0.0 110.294 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -69.92 113.76 7.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.609 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . 0.446 ' HA ' HD21 ' A' ' 117' ' ' ASN . 34.2 p80 -114.65 172.7 6.87 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.824 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 21.3 t60 . . . . . 0 C--O 1.245 0.826 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.669 . . . . . . . . 0 0 . 1 stop_ save_