data_1iba_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1iba _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.0 mtt . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.62 -42.83 59.53 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 115.429 -2.224 . . . . 0.0 113.371 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.09 -18.89 30.52 Favored 'Trans proline' 0 C--N 1.352 0.757 0 CA-C-N 123.961 2.45 . . . . 0.0 112.689 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.62 -5.86 28.3 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.29 170.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -75.19 -68.5 0.55 Allowed 'General case' 0 C--N 1.36 1.046 0 N-CA-C 103.586 -2.746 . . . . 0.0 103.586 -173.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -38.31 -36.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.159 0 CA-C-N 121.348 1.886 . . . . 0.0 112.403 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.25 93.4 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.187 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -48.15 -19.7 0.3 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CE2' ' HB ' ' A' ' 41' ' ' VAL . 2.0 t80 -140.14 -53.86 0.52 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.683 1.583 . . . . 0.0 109.788 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.76 -28.33 73.53 Favored Glycine 0 C--N 1.358 1.795 0 CA-C-O 117.915 -1.492 . . . . 0.0 112.762 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.23 5.39 84.41 Favored Glycine 0 C--N 1.357 1.703 0 CA-C-N 119.448 1.624 . . . . 0.0 112.721 175.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -88.02 75.01 8.81 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 102.701 -3.074 . . . . 0.0 102.701 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.07 -29.49 60.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.091 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -44.91 -27.76 0.57 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.928 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -32.05 135.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -75.32 -42.58 54.15 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.806 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -134.74 140.7 46.14 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.78 1.173 . . . . 0.0 111.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.96 129.04 11.81 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 115.771 -2.062 . . . . 0.0 106.588 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -111.92 65.74 0.63 Allowed 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.158 2.254 . . . . 0.0 109.267 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 144.45 48.79 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.792 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -163.91 170.16 17.12 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.769 1.168 . . . . 0.0 111.28 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.268 0.1 OUTLIER -25.03 -63.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 t -137.36 31.59 2.6 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.805 1.184 . . . . 0.0 108.648 177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.17 122.03 11.28 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 116.896 -1.526 . . . . 0.0 108.636 -173.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.357 3.2 pp -121.7 173.04 7.7 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.059 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -154.27 159.26 41.2 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 115.304 -2.284 . . . . 0.0 106.172 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' HB ' ' CE2' ' A' ' 23' ' ' PHE . 6.7 t -148.92 69.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 122.168 2.258 . . . . 0.0 109.32 -170.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -78.7 95.42 5.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.496 -1.24 . . . . 0.0 113.511 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 m -148.9 175.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.216 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.97 2.29 25.07 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 116.264 -1.826 . . . . 0.0 113.41 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.99 59.98 0.52 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 122.393 2.36 . . . . 0.0 110.218 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.28 0.2 OUTLIER -103.41 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.492 174.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -36.25 -44.13 0.39 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.5 1.5 . . . . 0.0 112.911 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 26.58 0.74 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.04 149.8 9.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.468 -174.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.74 65.7 1.57 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -70.71 -46.77 62.49 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.74 -34.59 3.71 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.11 0.881 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.68 -42.42 7.29 Favored Glycine 0 C--N 1.354 1.57 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -9.58 31.81 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.571 1.685 . . . . 0.0 113.108 -174.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -44.86 9.03 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -88.92 -14.62 36.3 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.41 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.3 -36.87 4.53 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.956 1.253 . . . . 0.0 112.97 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.94 -51.01 3.51 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.81 -160.0 0.7 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-O 117.548 -1.215 . . . . 0.0 107.762 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.88 37.79 4.22 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.934 1.243 . . . . 0.0 109.286 -176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.59 120.42 2.14 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 107.581 -2.208 . . . . 0.0 107.581 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.43 174.87 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.14 140.62 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 t -114.84 130.4 69.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.45 87.55 2.02 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 116.893 -1.527 . . . . 0.0 108.214 -174.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -26.4 107.65 0.01 OUTLIER Glycine 0 C--N 1.359 1.816 0 CA-C-O 116.532 -2.26 . . . . 0.0 112.329 -176.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 56.4 p 127.07 -33.59 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 CA-C-N 118.634 1.217 . . . . 0.0 107.962 -166.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.94 174.32 45.26 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.99 144.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.22 143.18 50.76 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 114.15 -2.834 . . . . 0.0 107.833 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -128.92 144.16 51.1 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.211 1.823 . . . . 0.0 109.808 -175.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . 0.277 1.0 OUTLIER -139.33 118.61 13.21 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-O 117.033 -1.46 . . . . 0.0 107.674 -172.59 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -110.9 42.94 1.52 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' LYS . . . -85.17 -166.71 42.23 Favored Glycine 0 C--N 1.359 1.821 0 CA-C-O 117.224 -1.876 . . . . 0.0 109.752 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p 53.62 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.359 0.985 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.7 ptpp? -105.1 54.75 0.7 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 104.398 -2.445 . . . . 0.0 104.398 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.5 t -75.83 -50.78 14.15 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.26 -38.29 73.65 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -66.36 -47.0 74.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.891 0.769 . . . . 0.0 110.075 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.31 -49.17 58.28 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -55.25 -37.68 67.53 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.315 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.44 -46.68 86.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.887 1.221 . . . . 0.0 107.777 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.431 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 72.5 mm-40 -59.05 -41.48 87.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.2 mtp -56.69 -48.35 77.87 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.822 1.192 . . . . 0.0 109.335 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -54.06 -45.98 71.82 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.45 -39.88 48.96 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.642 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.431 ' CE1' ' O ' ' A' ' 83' ' ' GLU . 4.9 m-30 -64.63 -47.44 78.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.464 1.029 . . . . 0.0 112.378 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.29 -37.58 80.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -67.44 -31.75 72.15 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.524 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 . . . . . 0 C--N 1.352 0.711 0 CA-C-O 117.523 -1.227 . . . . 0.0 111.699 175.71 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.86 -44.19 77.32 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-O 115.391 -2.242 . . . . 0.0 111.228 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.55 -40.23 3.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 124.404 2.609 . . . . 0.0 112.942 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.39 -31.35 72.41 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.378 0.99 . . . . 0.0 109.281 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.5 tm? -77.91 -67.24 0.75 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-O 115.45 -2.214 . . . . 0.0 105.255 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -40.58 -34.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 122.426 2.375 . . . . 0.0 111.081 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.97 79.34 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.111 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.03 -16.66 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -142.28 -52.78 0.41 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.706 1.594 . . . . 0.0 109.674 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.57 -20.06 67.56 Favored Glycine 0 C--N 1.358 1.774 0 CA-C-O 117.128 -1.929 . . . . 0.0 113.687 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.38 18.32 51.46 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 120.09 1.945 . . . . 0.0 111.53 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -95.18 55.97 1.85 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 104.354 -2.462 . . . . 0.0 104.354 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.81 -25.9 5.04 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.422 1.01 . . . . 0.0 112.029 -169.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -51.1 -16.55 0.48 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.0 152.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -64.11 -56.05 17.6 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 116.455 -1.735 . . . . 0.0 112.397 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -135.51 142.48 45.45 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-N 121.924 2.147 . . . . 0.0 112.004 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.6 148.99 45.88 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 173.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.59 55.44 1.53 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 120.526 1.512 . . . . 0.0 107.441 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 138.2 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.638 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ILE . 3.9 t -163.22 163.89 25.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.46 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.308 0.8 OUTLIER -4.18 -94.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -179.507 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -116.84 29.49 7.9 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -137.83 127.51 25.23 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.324 3.7 pp -130.54 176.52 8.1 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -157.37 156.68 32.71 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.007 -1.949 . . . . 0.0 106.137 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.25 75.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 120.286 1.403 . . . . 0.0 107.841 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -72.63 111.64 7.96 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.115 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -164.58 151.85 2.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.36 -174.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.87 74.36 1.12 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.16 48.9 2.3 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.949 -2.612 . . . . 0.0 103.949 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.28 2.86 2.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.335 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.8 t -48.81 -33.55 10.67 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.824 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -164.59 -64.8 0.04 OUTLIER 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.925 -1.512 . . . . 0.0 110.743 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS 0.321 9.0 p 42.63 177.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.065 0 O-C-N 124.48 1.113 . . . . 0.0 113.421 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.6 50.85 2.17 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.33 -45.86 68.45 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.59 -34.72 0.39 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.63 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 -48.51 3.15 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 119.119 -0.823 . . . . 0.0 111.192 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -24.28 23.88 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -177.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -32.81 62.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 116.045 1.868 . . . . 0.0 116.045 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.65 -40.86 5.86 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 124.247 0.967 . . . . 0.0 109.968 176.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.67 -55.06 9.59 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.51 -49.76 5.03 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-O 119.173 -0.793 . . . . 0.0 111.607 -171.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.56 -166.0 1.05 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.5 37.51 2.91 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.71 1.141 . . . . 0.0 108.344 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.68 98.59 0.36 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -173.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -120.93 161.57 20.65 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.57 151.03 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.07 94.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -109.77 87.11 2.43 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.807 -1.568 . . . . 0.0 108.717 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -23.74 104.5 0.01 OUTLIER Glycine 0 C--N 1.36 1.888 0 CA-C-O 116.567 -2.241 . . . . 0.0 112.701 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 m 130.74 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.043 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -167.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.24 158.97 31.11 Favored Glycine 0 C--N 1.355 1.607 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.7 t -135.74 133.77 51.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -112.82 149.4 33.12 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 112.873 -3.441 . . . . 0.0 107.036 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -138.72 125.49 20.94 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 123.27 2.759 . . . . 0.0 112.276 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -131.09 126.58 59.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-N 121.679 2.036 . . . . 0.0 108.666 -171.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.302 0.0 OUTLIER -96.86 -7.99 32.08 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.875 178.264 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 -159.63 27.66 Favored Glycine 0 C--N 1.359 1.855 0 CA-C-N 120.395 1.452 . . . . 0.0 109.769 169.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.0 t -63.89 -30.92 71.96 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.667 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -51.43 -26.49 8.15 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.466 1.03 . . . . 0.0 110.782 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -37.72 -34.08 0.09 Allowed 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 116.289 -1.815 . . . . 0.0 115.144 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -62.6 -47.34 84.22 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 122.301 2.319 . . . . 0.0 108.499 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -69.18 -38.54 78.75 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.888 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.17 -38.81 60.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -36.77 64.43 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.251 -1.531 . . . . 0.0 110.076 172.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -60.36 -48.01 83.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.167 1.349 . . . . 0.0 109.718 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 120.07 1.305 . . . . 0.0 109.347 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 39.2 mtm -67.59 -40.95 84.8 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -48.69 -53.83 17.25 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -54.14 -48.47 70.8 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.102 -1.427 . . . . 0.0 109.657 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -44.88 -59.62 2.46 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 120.316 1.416 . . . . 0.0 111.557 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.5 -43.96 97.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.207 -173.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -64.12 -29.34 70.47 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.24 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 C--N 1.354 0.781 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.938 177.638 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 116.872 -1.537 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 -48.02 29.8 Favored Pre-proline 0 C--N 1.356 0.861 0 CA-C-O 116.192 -1.861 . . . . 0.0 112.299 176.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.65 -39.78 6.29 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.947 2.445 . . . . 0.0 112.077 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -30.51 71.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.264 0.938 . . . . 0.0 109.643 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -76.76 -66.08 0.86 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 -173.514 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -44.39 -36.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 CA-C-N 121.41 1.914 . . . . 0.0 109.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -40.73 91.25 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.878 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -45.96 -27.44 0.9 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.785 -1.579 . . . . 0.0 115.2 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -128.66 -52.84 1.25 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 120.063 1.301 . . . . 0.0 110.526 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.22 -18.23 76.5 Favored Glycine 0 C--N 1.358 1.752 0 CA-C-O 117.617 -1.657 . . . . 0.0 113.716 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.04 14.68 62.42 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 119.705 1.752 . . . . 0.0 111.451 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -87.76 74.43 9.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 104.27 -2.493 . . . . 0.0 104.27 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -36.26 18.61 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.888 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -43.19 -31.99 0.68 Allowed 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -20.67 159.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 121.8 4.0 . . . . 0.0 121.8 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.94 -56.5 2.23 Favored 'General case' 0 C--N 1.364 1.211 0 CA-C-O 116.62 -1.657 . . . . 0.0 111.999 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.42 128.12 10.86 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 123.697 2.953 . . . . 0.0 113.486 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.66 168.93 10.55 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 120.182 1.356 . . . . 0.0 108.04 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.62 77.99 1.72 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 150.67 48.26 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.386 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -169.02 177.2 5.01 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.541 1.064 . . . . 0.0 112.063 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.327 0.0 OUTLIER -30.43 -71.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -174.365 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -125.71 32.68 5.25 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -137.78 135.08 35.99 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.874 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -147.63 119.23 7.97 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 115.747 -2.073 . . . . 0.0 107.514 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -100.43 168.84 9.49 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 122.848 2.567 . . . . 0.0 109.168 -175.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.459 ' HB ' ' CZ ' ' A' ' 23' ' ' PHE . 1.3 t -142.01 69.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.988 0 CA-C-N 119.535 1.061 . . . . 0.0 112.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -69.83 108.64 4.04 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.482 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.77 164.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 CA-C-N 119.977 1.262 . . . . 0.0 113.373 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -101.94 -13.35 17.64 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.239 -1.839 . . . . 0.0 112.565 172.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.15 76.03 0.01 OUTLIER 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.819 2.099 . . . . 0.0 109.114 169.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.6 p -109.17 35.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -70.42 -62.7 1.29 Allowed 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.35 13.01 2.38 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.502 -1.237 . . . . 0.0 114.035 173.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.25 132.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.476 1.489 . . . . 0.0 111.218 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -86.86 71.4 10.31 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -79.56 -39.78 30.99 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.78 -29.83 8.51 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.611 . . . . 0.0 110.757 175.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 -39.54 8.09 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.751 -1.027 . . . . 0.0 111.035 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -18.55 64.68 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 117.03 -1.462 . . . . 0.0 112.163 -173.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -32.23 38.4 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 119.686 1.13 . . . . 0.0 113.121 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.17 -18.68 16.8 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 117.595 -1.193 . . . . 0.0 112.035 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.47 -34.78 6.42 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.839 1.199 . . . . 0.0 111.937 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.19 -49.05 2.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 120.74 1.609 . . . . 0.0 110.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.19 -162.17 0.89 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.08 56.23 0.89 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 121.173 1.806 . . . . 0.0 109.774 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.2 73.87 0.03 OUTLIER Glycine 0 C--N 1.351 1.376 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.3 m -111.02 169.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 118.83 1.315 . . . . 0.0 108.626 -177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.59 135.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.21 127.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.81 93.11 2.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.561 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -30.31 112.11 0.04 OUTLIER Glycine 0 C--N 1.358 1.756 0 CA-C-O 115.71 -2.717 . . . . 0.0 111.782 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 74.6 m 120.82 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.12 1.46 . . . . 0.0 108.837 -167.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.42 162.86 32.48 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.041 -1.422 . . . . 0.0 110.575 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.2 t -136.41 117.15 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.847 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -85.88 158.06 20.03 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . 0.309 . . -150.31 127.21 11.08 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.294 -1.336 . . . . 0.0 109.11 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -147.37 151.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-N 119.963 1.256 . . . . 0.0 108.594 -169.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -124.15 70.59 1.1 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -33.22 -95.79 0.01 OUTLIER Glycine 0 C--N 1.362 2.015 0 O-C-N 125.246 1.591 . . . . 0.0 114.242 -168.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -101.37 -26.04 13.74 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.643 1.221 . . . . 0.0 111.651 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -64.78 -4.65 4.57 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 120.483 1.492 . . . . 0.0 113.022 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -32.98 -39.91 0.05 OUTLIER 'General case' 0 C--N 1.351 0.649 0 CA-C-N 121.216 1.825 . . . . 0.0 113.989 166.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.35 -50.66 72.24 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 120.741 1.61 . . . . 0.0 109.381 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -61.69 -41.81 98.08 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 119.045 -0.503 . . . . 0.0 112.025 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.56 -47.66 31.41 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.133 -174.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -48.03 -36.43 12.86 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.81 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -61.96 -46.83 87.54 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.908 1.685 . . . . 0.0 109.14 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.71 -40.89 96.64 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.6 mtt -66.53 -36.33 82.43 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.64 -44.91 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.94 -50.13 71.6 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.588 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.74 -61.44 1.25 Allowed 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.761 1.619 . . . . 0.0 111.209 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.1 -44.07 98.56 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.855 -173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -60.78 -31.64 70.99 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.389 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--N 1.352 0.702 0 CA-C-O 117.701 -1.143 . . . . 0.0 111.448 178.022 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.65 -41.34 89.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 115.738 -2.077 . . . . 0.0 111.752 174.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.45 -34.58 9.36 Favored 'Trans proline' 0 C--N 1.353 0.804 0 CA-C-N 123.798 2.392 . . . . 0.0 111.486 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -31.12 71.11 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.474 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -64.94 -67.15 0.46 Allowed 'General case' 0 C--N 1.356 0.88 0 CA-C-O 115.305 -2.283 . . . . 0.0 105.86 -177.254 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -42.05 -37.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.339 0 CA-C-N 122.107 2.23 . . . . 0.0 111.36 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.48 91.29 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.105 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.91 -13.83 0.12 Allowed 'General case' 0 C--N 1.359 0.978 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CD1' HG23 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -145.85 -48.17 0.21 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-N 121.602 2.001 . . . . 0.0 111.503 177.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.31 -26.3 74.4 Favored Glycine 0 C--N 1.359 1.828 0 CA-C-O 117.552 -1.694 . . . . 0.0 112.567 170.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.5 0.63 68.28 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 119.624 1.712 . . . . 0.0 112.444 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -71.53 85.95 0.87 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 172.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.09 78.6 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.052 0.842 . . . . 0.0 110.091 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -42.92 -29.62 0.34 Allowed 'General case' 0 C--N 1.358 0.962 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -13.98 155.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.695 1 N-CA-C 122.33 4.196 . . . . 0.0 122.33 174.093 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -54.45 2.52 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 117.056 -1.45 . . . . 0.0 111.271 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -151.38 109.09 3.65 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 121.959 2.163 . . . . 0.0 112.669 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.02 162.38 15.95 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.661 1.118 . . . . 0.0 108.084 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.75 68.0 1.44 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.34 146.26 48.73 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.394 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.97 166.43 21.61 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.674 1.124 . . . . 0.0 111.427 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.276 0.1 OUTLIER -24.99 -66.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -173.208 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 p -133.85 35.57 3.33 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -154.26 111.0 3.33 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.932 -1.509 . . . . 0.0 109.035 -170.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.373 3.2 pp -115.34 -178.41 3.37 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.778 1.172 . . . . 0.0 108.398 178.045 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -158.87 155.44 27.77 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 114.834 -2.507 . . . . 0.0 106.995 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.58 64.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 121.898 2.135 . . . . 0.0 111.245 -171.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -69.1 98.06 0.95 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 117.373 -1.299 . . . . 0.0 112.003 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.4 170.82 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.141 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.089 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.92 4.27 15.74 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 116.356 -1.783 . . . . 0.0 112.996 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.46 58.94 0.78 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.555 2.434 . . . . 0.0 109.601 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -93.13 -4.52 10.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.093 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.2 t -31.72 -51.75 0.22 Allowed 'General case' 0 C--N 1.362 1.115 0 CA-C-N 119.989 1.268 . . . . 0.0 112.974 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 26.01 0.78 Allowed 'General case' 0 C--N 1.354 0.768 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.423 HG23 ' CD1' ' A' ' 23' ' ' PHE . 13.4 p -57.19 152.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.946 -174.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -102.89 64.21 0.85 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -70.44 -45.1 66.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -33.82 1.76 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.053 0.846 . . . . 0.0 110.726 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -49.23 5.2 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -15.01 41.35 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.3 1.55 . . . . 0.0 112.452 -170.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -45.2 17.99 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -88.8 -35.33 16.69 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.717 1.261 . . . . 0.0 110.674 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -89.1 -44.57 10.24 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.388 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.47 -56.25 3.03 Favored Glycine 0 C--N 1.351 1.391 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.48 -151.69 0.45 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.61 40.54 2.2 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.295 1.407 . . . . 0.0 109.77 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.02 107.92 0.86 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.276 -1.847 . . . . 0.0 109.041 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.71 171.86 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-N 119.464 1.632 . . . . 0.0 106.631 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.17 134.39 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.71 127.22 62.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -138.84 90.69 2.46 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.87 -1.538 . . . . 0.0 107.993 -176.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -29.0 112.46 0.03 OUTLIER Glycine 0 C--N 1.358 1.802 0 CA-C-O 116.094 -2.503 . . . . 0.0 111.858 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 36.4 t 117.35 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.012 1.406 . . . . 0.0 109.508 -167.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.24 163.31 31.31 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.817 -1.546 . . . . 0.0 110.848 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -138.68 135.2 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -108.57 152.39 24.83 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 114.025 -2.893 . . . . 0.0 107.085 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -142.09 126.51 17.72 Favored 'General case' 0 C--N 1.363 1.182 0 CA-C-N 122.229 2.286 . . . . 0.0 112.001 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.3 125.47 67.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.303 1.865 . . . . 0.0 109.378 -169.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -116.04 50.04 1.06 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.76 165.93 19.14 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 m 82.74 -42.66 0.12 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.947 1.373 . . . . 0.0 109.66 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.78 55.25 1.0 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.039 1.29 . . . . 0.0 110.579 174.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -55.08 22.86 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.72 -41.1 69.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.273 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -61.12 -44.52 97.22 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.862 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -67.44 0.44 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -31.74 0.51 Allowed 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.255 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -64.4 -69.37 0.29 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.766 1.166 . . . . 0.0 109.43 174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.4 -34.58 58.27 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 118.984 0.811 . . . . 0.0 110.657 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 42.6 mtp -63.24 -45.89 89.5 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.514 1.052 . . . . 0.0 108.9 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -48.2 -47.07 35.7 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.68 -42.82 93.8 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.696 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 84' ' ' MET . 6.0 m-30 -56.34 -49.78 73.38 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.54 1.063 . . . . 0.0 110.239 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.66 -42.1 94.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -64.7 -28.46 69.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.494 0.588 . . . . 0.0 111.233 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.0 t30 . . . . . 0 C--N 1.353 0.747 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.181 175.508 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 C--O 1.217 -0.655 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -55.75 -41.75 92.53 Favored Pre-proline 0 C--N 1.354 0.783 0 CA-C-N 122.224 2.284 . . . . 0.0 111.022 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 11.5 Cg_endo -70.82 -50.28 0.36 Allowed 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-N 123.726 2.366 . . . . 0.0 111.75 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.58 86.43 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.561 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -67.15 0.5 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -175.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.46 -33.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.092 0 CA-C-N 120.873 1.669 . . . . 0.0 110.774 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.35 92.64 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 120.126 -0.629 . . . . 0.0 111.146 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.77 -22.47 2.15 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -132.29 -49.15 0.92 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.969 1.713 . . . . 0.0 110.901 176.12 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.97 -20.47 78.9 Favored Glycine 0 C--N 1.359 1.84 0 CA-C-O 117.55 -1.695 . . . . 0.0 113.113 173.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.41 13.54 66.99 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 119.751 1.776 . . . . 0.0 111.54 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.31 57.42 1.22 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 102.859 -3.015 . . . . 0.0 102.859 173.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.02 -23.91 15.15 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.097 -174.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -55.93 -9.47 0.59 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.79 153.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.8 p -70.61 -50.7 34.28 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-O 116.501 -1.714 . . . . 0.0 111.445 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -135.27 146.6 48.71 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 121.931 2.15 . . . . 0.0 113.071 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.15 164.2 19.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.06 70.64 1.2 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.76 153.19 37.15 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.014 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -168.09 -178.92 3.88 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.621 0.646 . . . . 0.0 111.273 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -36.46 -54.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -144.21 42.69 1.41 Allowed 'General case' 0 C--N 1.35 0.598 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -138.94 142.4 38.44 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.42 122.92 9.1 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 114.249 -2.786 . . . . 0.0 108.89 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.94 151.89 46.36 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 120.646 1.566 . . . . 0.0 108.914 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.56 90.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 -175.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.52 122.3 33.23 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 120.179 1.354 . . . . 0.0 109.674 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -158.35 165.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 119.421 1.01 . . . . 0.0 109.556 -166.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.77 -56.75 18.14 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.157 -1.402 . . . . 0.0 110.815 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -21.12 -101.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.153 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER 49.05 17.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.04 0 CA-C-N 122.722 2.51 . . . . 0.0 113.557 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 t -138.92 -76.64 0.36 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.205 0.911 . . . . 0.0 108.862 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -21.15 62.9 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.468 1.031 . . . . 0.0 111.411 175.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.11 150.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.894 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -98.2 50.52 1.01 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 118.507 0.594 . . . . 0.0 110.774 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.509 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 6.4 mt-30 -64.92 -38.62 91.58 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -37.22 -38.79 0.23 Allowed 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.629 -0.701 . . . . 0.0 112.089 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -41.73 6.02 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 118.581 -1.122 . . . . 0.0 111.241 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -18.66 64.52 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.66 1.73 . . . . 0.0 111.658 -174.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -39.25 34.9 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -8.77 21.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.416 -1.278 . . . . 0.0 112.634 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.52 -38.02 5.05 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.283 1.401 . . . . 0.0 111.484 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.95 -67.43 1.17 Allowed Glycine 0 C--N 1.356 1.675 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.42 -165.19 1.23 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.8 63.12 1.39 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.158 1.345 . . . . 0.0 107.981 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.7 93.94 0.88 Allowed Glycine 0 C--N 1.351 1.371 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.07 169.78 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 119.261 1.531 . . . . 0.0 108.571 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -133.45 145.04 34.37 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.29 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 -177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.31 97.42 3.29 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 116.489 -1.719 . . . . 0.0 107.956 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.38 112.05 0.06 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 116.205 -2.442 . . . . 0.0 111.491 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 71.2 m 114.54 -16.36 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-N 119.203 1.501 . . . . 0.0 109.803 -167.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.63 174.74 45.12 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 120.938 1.699 . . . . 0.0 111.503 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -152.99 108.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 118.622 1.211 . . . . 0.0 107.982 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.69 147.49 24.49 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-O 116.611 -1.661 . . . . 0.0 107.591 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . 0.257 . . -132.12 146.26 51.92 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.77 149.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-O 115.481 -2.199 . . . . 0.0 107.547 -169.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.253 4.5 p90 -138.23 48.87 1.95 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.598 1.999 . . . . 0.0 113.014 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.91 13.25 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-O 118.337 -1.257 . . . . 0.0 110.958 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 p -74.04 90.43 1.99 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.787 1.294 . . . . 0.0 108.604 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 84.98 30.78 0.05 OUTLIER 'General case' 0 C--N 1.358 0.957 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.125 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -56.14 1.55 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -53.65 -43.32 68.68 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.387 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 118.921 0.782 . . . . 0.0 111.413 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.29 -46.47 67.12 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -58.16 -31.51 67.31 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.589 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -62.86 -44.51 95.93 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.685 1.129 . . . . 0.0 108.726 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.46 -39.02 89.35 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.397 0.999 . . . . 0.0 108.972 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.59 -42.26 87.24 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.159 0.891 . . . . 0.0 108.813 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -50.09 -53.23 28.68 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -48.13 -49.28 32.7 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.054 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -46.63 -62.97 1.14 Allowed 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.709 1.14 . . . . 0.0 110.284 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.56 -45.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.608 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -62.27 -31.67 72.29 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.217 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 C--N 1.353 0.748 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.08 177.496 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 77.4 mtp . . . . . 0 CA--C 1.509 -0.632 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.61 90.09 Favored Pre-proline 0 C--N 1.352 0.701 0 CA-C-O 116.025 -1.941 . . . . 0.0 111.436 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -72.93 -30.21 11.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 CA-C-N 124.779 2.742 . . . . 0.0 112.239 172.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.33 71.23 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.415 1.461 . . . . 0.0 108.977 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.07 -66.57 0.48 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.23 -1.843 . . . . 0.0 109.008 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.3 p -46.19 -36.61 2.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 122.093 2.224 . . . . 0.0 110.118 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.03 86.0 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 119.204 -0.998 . . . . 0.0 111.481 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -22.4 31.14 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -133.35 -46.02 0.83 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.934 1.697 . . . . 0.0 110.366 175.184 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.94 -22.65 78.71 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 117.436 -1.758 . . . . 0.0 113.907 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.14 9.79 72.18 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-N 120.191 1.996 . . . . 0.0 112.275 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -82.16 79.22 8.71 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -34.34 67.99 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.062 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -45.17 -28.52 0.77 Allowed 'General case' 0 C--N 1.357 0.907 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -12.94 151.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 121.517 3.895 . . . . 0.0 121.517 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 p -104.03 -61.77 1.4 Allowed 'General case' 0 C--N 1.364 1.217 0 CA-C-O 118.232 -0.889 . . . . 0.0 111.478 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -143.39 104.5 4.25 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.5 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.71 163.7 13.03 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 119.895 1.225 . . . . 0.0 109.046 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.26 69.08 1.48 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 144.67 56.93 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.931 -1.509 . . . . 0.0 110.88 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -163.34 169.11 19.52 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 120.347 1.43 . . . . 0.0 112.292 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.293 0.0 OUTLIER -26.19 -69.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -174.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -131.2 35.49 3.9 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -150.51 102.9 3.08 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 117.724 -1.131 . . . . 0.0 108.762 -173.336 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 71' ' ' ALA . 4.3 pp -120.2 142.28 49.14 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 115.146 -2.359 . . . . 0.0 107.244 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -123.13 167.54 13.56 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 114.86 -2.495 . . . . 0.0 109.087 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.42 57.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.244 0 CA-C-N 121.647 2.021 . . . . 0.0 115.259 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -71.89 88.69 1.05 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.97 152.72 15.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.993 -174.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.01 -6.95 59.69 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.499 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.98 68.34 0.16 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.058 1.754 . . . . 0.0 108.379 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.89 30.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.049 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 t -72.77 -85.02 0.03 OUTLIER 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.659 -1.162 . . . . 0.0 109.895 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.89 5.06 49.43 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.899 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -40.91 141.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.781 -171.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.2 p30 -95.19 53.17 1.5 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.8 1.182 . . . . 0.0 108.275 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 22.0 mt-30 -63.37 -44.99 93.19 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.03 -32.47 1.69 Allowed 'General case' 0 C--N 1.348 0.527 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.426 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.35 -44.2 4.41 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-O 118.412 -1.215 . . . . 0.0 111.757 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -24.1 65.23 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.069 1.934 . . . . 0.0 110.594 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -47.37 63.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -90.4 -38.87 13.02 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -38.61 15.84 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.612 -175.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.3 -52.21 3.66 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 121.182 1.81 . . . . 0.0 109.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.26 -163.6 1.0 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.95 38.11 3.85 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.143 0.883 . . . . 0.0 109.244 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.89 114.32 1.21 Allowed Glycine 0 C--N 1.354 1.532 0 CA-C-O 117.089 -1.951 . . . . 0.0 109.697 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.68 175.39 11.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 119.255 1.527 . . . . 0.0 108.778 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.06 133.92 13.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.21 133.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -173.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -144.04 85.73 1.82 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.984 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -24.85 109.73 0.01 OUTLIER Glycine 0 C--N 1.358 1.761 0 CA-C-O 116.5 -2.278 . . . . 0.0 112.592 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 89.8 p 119.19 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.359 0.987 0 CA-C-N 118.742 1.271 . . . . 0.0 108.679 -165.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.11 168.8 41.18 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.473 -1.181 . . . . 0.0 111.419 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.0 t -137.31 143.12 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 132.92 49.59 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 114.774 -2.536 . . . . 0.0 107.195 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -133.04 143.99 49.75 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.725 1.602 . . . . 0.0 108.899 -169.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.12 135.51 47.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 CA-C-O 116.265 -1.826 . . . . 0.0 107.828 -172.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 38' ' ' ARG . 3.7 p90 -127.03 55.78 1.55 Allowed 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.16 -141.72 9.8 Favored Glycine 0 C--N 1.358 1.767 0 CA-C-O 116.808 -2.106 . . . . 0.0 108.011 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t 36.5 -113.18 0.09 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-N 118.976 1.388 . . . . 0.0 110.986 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.98 62.01 0.11 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.355 1.434 . . . . 0.0 108.419 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 p -72.49 -52.57 15.2 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 119.361 -2.087 . . . . 0.0 106.951 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.045 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.4 -42.26 71.92 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.976 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.45 -30.73 66.37 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.498 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -78.17 -29.1 48.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.961 1.255 . . . . 0.0 109.144 174.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -62.0 -56.05 23.07 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.211 1.369 . . . . 0.0 108.25 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -55.85 -39.02 70.85 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.392 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.8 mtm -62.44 -41.74 98.96 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 120.226 1.376 . . . . 0.0 107.577 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -51.84 -47.49 64.37 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.9 -40.61 85.0 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.663 -1.161 . . . . 0.0 110.193 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -55.46 -46.03 76.86 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.139 1.336 . . . . 0.0 111.928 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.92 -43.26 68.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -61.1 -31.01 70.7 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 C--N 1.354 0.766 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.759 177.785 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.7 mtp . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 117.432 -1.271 . . . . 0.0 113.448 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.79 -45.86 86.71 Favored Pre-proline 0 C--N 1.352 0.688 0 CA-C-N 120.937 1.699 . . . . 0.0 110.417 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG3' ' CD1' ' A' ' 87' ' ' TYR . 77.4 Cg_endo -89.14 -22.25 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 123.096 2.141 . . . . 0.0 114.587 176.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.42 -35.51 12.91 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 121.521 1.964 . . . . 0.0 107.094 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.53 21.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.442 -1.266 . . . . 0.0 108.658 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -35.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 CA-C-N 120.554 1.525 . . . . 0.0 109.25 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.55 77.53 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.94 -32.18 1.53 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.08 -1.914 . . . . 0.0 112.866 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.99 -49.32 1.6 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.905 1.23 . . . . 0.0 110.604 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 5.54 43.28 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-O 116.505 -2.275 . . . . 0.0 113.351 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.79 -4.84 48.46 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 121.018 2.409 . . . . 0.0 113.268 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 81.11 7.99 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 121.195 2.498 . . . . 0.0 104.64 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -47.54 -29.84 3.12 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.244 1.383 . . . . 0.0 110.267 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ILE . 43.9 t30 -44.95 -21.93 0.07 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-O 116.642 -1.647 . . . . 0.0 114.491 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.1 mp -6.6 149.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 119.762 3.245 . . . . 0.0 119.762 169.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.4 -52.23 2.73 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.951 -1.499 . . . . 0.0 110.371 -174.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.15 109.73 3.82 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-N 122.08 2.218 . . . . 0.0 111.531 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -109.9 170.25 8.19 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.836 1.198 . . . . 0.0 108.7 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.57 71.79 1.4 Allowed 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 148.47 42.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.577 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.69 173.4 11.93 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.956 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -33.38 -57.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.286 0.9 OUTLIER -146.74 45.2 1.19 Allowed 'General case' 0 C--N 1.345 0.387 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 179.575 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -146.65 136.23 23.02 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 pp -150.17 100.99 2.96 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.224 -1.846 . . . . 0.0 108.621 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -83.64 168.65 16.13 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 115.141 -2.362 . . . . 0.0 110.746 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.67 62.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.209 0 CA-C-N 122.363 2.347 . . . . 0.0 112.667 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m -75.31 117.02 16.66 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 112.325 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 m -147.85 163.98 6.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.181 0 CA-C-N 119.223 0.92 . . . . 0.0 110.691 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.1 40.55 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.643 -1.17 . . . . 0.0 110.747 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -44.61 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.63 -1.176 . . . . 0.0 113.864 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.298 0.7 OUTLIER 42.33 19.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.017 1.735 . . . . 0.0 114.519 -174.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 t -69.73 -45.84 67.28 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.027 1.285 . . . . 0.0 108.704 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 22.52 3.13 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.916 0.76 . . . . 0.0 111.295 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 p -65.04 156.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.468 -170.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -103.7 66.13 0.85 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.956 0.798 . . . . 0.0 109.659 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -61.83 -41.33 97.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.695 1.134 . . . . 0.0 108.25 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.88 -31.78 0.54 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.139 0.881 . . . . 0.0 112.149 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.99 -45.42 4.17 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.717 171.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -31.71 72.21 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 120.835 2.317 . . . . 0.0 107.79 -171.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -50.02 73.75 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -92.14 -45.38 8.3 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 124.092 0.87 . . . . 0.0 109.911 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.01 -26.69 33.61 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.611 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.84 -67.06 0.97 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 121.128 1.785 . . . . 0.0 109.184 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.17 -148.14 0.33 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.86 59.45 0.31 Allowed 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.463 1.938 . . . . 0.0 110.451 169.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.69 71.69 0.01 OUTLIER Glycine 0 C--N 1.352 1.429 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -108.86 174.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 118.576 1.188 . . . . 0.0 109.507 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.03 137.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.68 137.13 40.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -146.89 93.26 2.25 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.737 -1.601 . . . . 0.0 108.797 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.92 111.6 0.06 OUTLIER Glycine 0 C--N 1.358 1.792 0 CA-C-O 116.336 -2.369 . . . . 0.0 111.603 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 80.8 p 120.71 -24.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.022 0 CA-C-N 118.787 1.294 . . . . 0.0 109.591 -166.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.17 165.37 32.84 Favored Glycine 0 C--N 1.353 1.488 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.15 136.08 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 166.21 10.54 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . 0.271 . . -159.75 115.42 2.44 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 121.285 1.857 . . . . 0.0 108.776 178.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.81 160.89 41.79 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 CA-C-O 117.61 -1.186 . . . . 0.0 108.173 -166.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -119.86 -54.67 2.13 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 118.477 -0.773 . . . . 0.0 112.442 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.19 -69.61 0.37 Allowed Glycine 0 C--N 1.358 1.774 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 m -162.34 -49.56 0.04 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.381 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -61.53 8.53 0.04 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.205 -1.855 . . . . 0.0 113.083 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -48.53 -49.47 35.99 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 124.195 3.18 . . . . 0.0 110.144 172.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -48.37 -40.18 24.77 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.403 1.001 . . . . 0.0 111.076 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -61.92 -48.14 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.246 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -50.16 15.27 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -48.22 -35.38 11.8 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.89 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -58.77 -44.19 90.56 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.816 1.189 . . . . 0.0 109.635 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -53.98 -36.41 62.88 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 109.144 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.79 -47.99 70.4 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -45.59 -51.62 11.76 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.359 0.982 . . . . 0.0 109.289 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.87 -48.53 31.19 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.227 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 17' ' ' PRO . 9.4 t80 -51.81 -50.52 60.62 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 119.992 1.269 . . . . 0.0 113.453 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.2 mp -66.26 -41.38 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -63.39 -33.83 76.41 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.27 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 C--N 1.353 0.741 0 CA-C-O 117.907 -1.044 . . . . 0.0 111.663 177.821 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.6 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 116.82 -1.562 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.95 -43.93 85.11 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-N 121.994 2.179 . . . . 0.0 111.351 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -74.09 -30.65 8.63 Favored 'Trans proline' 0 C--N 1.363 1.32 0 CA-C-N 123.662 2.344 . . . . 0.0 112.566 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.885 1.221 . . . . 0.0 108.818 171.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -65.37 -66.64 0.52 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 -177.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.8 p -43.96 -37.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.212 0 CA-C-N 121.446 1.93 . . . . 0.0 110.569 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.9 97.33 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -44.27 -28.56 0.54 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-O 115.252 -2.309 . . . . 0.0 114.61 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -129.58 -57.11 1.13 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.838 2.108 . . . . 0.0 110.033 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.64 -24.4 62.02 Favored Glycine 0 C--N 1.36 1.877 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.292 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.33 7.24 63.9 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 117.084 -1.953 . . . . 0.0 112.665 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -68.72 85.68 0.31 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -52.11 -27.02 12.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.852 1.205 . . . . 0.0 110.772 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -45.04 -27.65 0.59 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 116.959 -1.496 . . . . 0.0 112.653 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 4.59 123.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 168.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.19 -54.93 1.58 Allowed 'General case' 0 C--N 1.363 1.195 0 CA-C-O 116.691 -1.623 . . . . 0.0 112.473 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -142.83 94.74 2.67 Favored 'General case' 0 C--N 1.361 1.102 0 CA-C-N 122.663 2.483 . . . . 0.0 111.27 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.93 -170.68 2.23 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.62 1.554 . . . . 0.0 107.166 -165.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -158.96 93.78 1.18 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 121.085 1.766 . . . . 0.0 107.859 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 152.91 33.96 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.792 1.178 . . . . 0.0 110.783 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.89 173.82 7.94 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 119.386 0.994 . . . . 0.0 111.951 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.357 0.0 OUTLIER -33.67 -81.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -174.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.14 27.48 9.57 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -143.02 119.9 11.27 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.117 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pp -141.67 120.41 12.63 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.795 -1.574 . . . . 0.0 107.678 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 165.22 11.35 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 115.571 -2.157 . . . . 0.0 109.139 -173.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.17 73.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.261 0 CA-C-N 119.901 1.228 . . . . 0.0 113.006 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 113.51 12.55 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 121.831 2.105 . . . . 0.0 112.719 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.06 162.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 CA-C-N 120.605 1.548 . . . . 0.0 112.5 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -89.12 -17.91 28.28 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 116.539 -1.696 . . . . 0.0 111.374 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.36 76.37 0.01 OUTLIER 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.38 1.9 . . . . 0.0 109.263 169.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.4 p -100.97 61.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 104.478 -2.416 . . . . 0.0 104.478 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -130.9 99.65 4.99 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 118.604 -0.713 . . . . 0.0 109.447 -170.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.28 42.11 25.24 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -80.75 -13.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-O 117.266 -1.35 . . . . 0.0 108.289 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.99 56.91 6.49 Favored 'General case' 0 C--N 1.36 1.042 0 CA-C-N 120.861 1.664 . . . . 0.0 107.792 174.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -76.33 -42.98 43.15 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -25.53 39.47 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.208 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -43.13 7.76 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.195 169.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -13.93 62.64 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.108 -170.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -44.96 28.53 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 120.204 1.365 . . . . 0.0 112.414 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -88.56 -39.74 13.9 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 124.264 0.978 . . . . 0.0 110.303 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.82 -36.62 14.12 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.529 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.6 -45.46 5.2 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 119.289 0.95 . . . . 0.0 112.012 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.81 -150.26 0.44 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.713 -1.613 . . . . 0.0 106.818 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.24 58.5 0.58 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.061 1.755 . . . . 0.0 108.308 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 85.72 0.14 Allowed Glycine 0 C--N 1.355 1.617 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.0 175.03 4.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 119.304 1.552 . . . . 0.0 107.202 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.04 127.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.25 139.44 23.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 117.406 -1.283 . . . . 0.0 108.042 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -149.16 87.28 1.52 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.824 -176.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -27.62 115.85 0.04 OUTLIER Glycine 0 C--N 1.358 1.75 0 CA-C-O 116.012 -2.549 . . . . 0.0 112.852 -176.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 92.4 p 112.03 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.048 0 CA-C-N 119.149 1.474 . . . . 0.0 108.739 -165.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.7 171.63 38.35 Favored Glycine 0 C--N 1.352 1.455 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.6 t -148.19 151.53 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.0 179.36 4.01 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . 0.332 . . -159.71 127.03 4.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.165 -0.922 . . . . 0.0 109.269 175.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.63 152.87 13.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -168.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.76 71.32 0.79 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.23 -81.08 0.02 OUTLIER Glycine 0 C--N 1.354 1.56 0 CA-C-O 118.596 -1.114 . . . . 0.0 113.93 -168.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -126.28 34.0 4.92 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.029 0.914 . . . . 0.0 110.589 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.47 49.67 1.41 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -41.38 20.42 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.526 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.25 -48.4 80.1 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.508 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.52 -50.58 72.13 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.042 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -44.28 80.41 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.269 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.73 -39.48 65.31 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.962 1.255 . . . . 0.0 111.014 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 p -67.35 -62.02 1.63 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -53.89 -34.02 58.23 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.459 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.6 mtp -62.32 -47.42 84.32 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.574 1.988 . . . . 0.0 106.732 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.18 -48.98 44.66 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.15 -40.71 64.48 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.546 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -64.06 -48.66 75.36 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.571 1.078 . . . . 0.0 110.37 -173.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.0 -42.85 95.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.57 -33.7 73.08 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.581 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.5 t30 . . . . . 0 C--N 1.354 0.786 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.911 177.522 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.6 mtt . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 115.838 -2.03 . . . . 0.0 112.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -54.53 -29.14 4.69 Favored Pre-proline 0 C--N 1.35 0.628 0 CA-C-N 124.021 3.1 . . . . 0.0 115.021 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 88.0 Cg_endo -86.82 -41.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.237 0 CA-C-N 125.202 2.894 . . . . 0.0 110.942 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.35 85.22 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.977 1.262 . . . . 0.0 109.204 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -59.33 2.95 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -174.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -48.08 -35.8 5.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 CA-C-N 120.654 1.57 . . . . 0.0 109.203 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -38.28 90.49 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.18 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.71 -21.15 3.72 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.452 -1.737 . . . . 0.0 115.26 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -133.4 -55.88 0.9 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.185 1.811 . . . . 0.0 109.343 177.39 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 -24.34 72.52 Favored Glycine 0 C--N 1.361 1.924 0 CA-C-O 117.399 -1.779 . . . . 0.0 112.889 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.99 11.15 71.25 Favored Glycine 0 C--N 1.358 1.759 0 CA-C-N 119.641 1.721 . . . . 0.0 111.778 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.4 74.32 9.98 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 101.705 -3.443 . . . . 0.0 101.705 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.58 -30.28 53.9 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 119.391 -0.923 . . . . 0.0 109.976 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.58 -18.66 0.46 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.827 -1.082 . . . . 0.0 113.816 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -35.89 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.4 -59.73 2.44 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -131.21 148.91 52.76 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.762 1.165 . . . . 0.0 112.311 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -152.18 135.43 15.87 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -120.07 69.85 0.86 Allowed 'General case' 0 C--N 1.357 0.893 0 CA-C-N 121.893 2.133 . . . . 0.0 107.067 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.06 146.62 49.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.368 -1.301 . . . . 0.0 110.699 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.36 172.39 12.33 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 119.689 1.131 . . . . 0.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -32.06 -68.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.7 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.9 p -130.97 41.83 3.31 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.11 121.55 6.31 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 115.73 -2.081 . . . . 0.0 108.68 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.362 3.4 pp -116.78 -179.99 3.85 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.042 2.201 . . . . 0.0 108.984 169.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.67 161.11 43.01 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.698 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG12 ' CD1' ' A' ' 23' ' ' PHE . 1.9 t -144.45 72.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-N 121.939 2.154 . . . . 0.0 109.073 -178.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -71.16 110.78 6.03 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.287 -1.34 . . . . 0.0 112.926 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -148.78 164.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 118.977 0.808 . . . . 0.0 112.754 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.04 -38.82 52.0 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.601 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.253 10.3 t70 -33.74 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 CA-C-O 116.819 -1.562 . . . . 0.0 113.798 -174.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.284 0.8 OUTLIER 43.36 13.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-N 122.08 2.218 . . . . 0.0 116.279 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 t -112.4 10.29 19.81 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 120.272 1.396 . . . . 0.0 111.686 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -172.77 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.855 -178.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' LYS . 2.1 p -30.0 136.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.154 170.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.89 64.46 8.65 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 16.9 mt-30 -65.04 -42.31 94.43 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -175.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -32.85 3.23 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.284 0.99 . . . . 0.0 111.995 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.67 -40.5 6.74 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.525 -1.153 . . . . 0.0 110.846 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -65.79 -19.6 65.95 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 120.202 2.001 . . . . 0.0 109.433 -173.577 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -46.24 57.82 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -91.05 -44.62 9.19 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -89.32 -30.47 18.41 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.453 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.27 -36.66 5.61 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.178 -1.346 . . . . 0.0 113.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . -125.22 -150.57 0.45 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.91 56.4 0.31 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 122.312 2.323 . . . . 0.0 110.142 173.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.08 76.84 0.05 OUTLIER Glycine 0 C--N 1.355 1.608 0 CA-C-O 117.522 -1.71 . . . . 0.0 109.099 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -112.69 173.17 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.964 0 CA-C-N 119.5 1.65 . . . . 0.0 108.234 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.45 137.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.1 131.22 61.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.91 84.82 1.85 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 116.714 -1.612 . . . . 0.0 108.562 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -25.0 108.78 0.01 OUTLIER Glycine 0 C--N 1.36 1.887 0 CA-C-O 115.97 -2.572 . . . . 0.0 111.968 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 70.3 m 123.59 -31.3 0.01 OUTLIER 'General case' 0 C--N 1.361 1.083 0 CA-C-N 118.854 1.327 . . . . 0.0 108.444 -165.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.44 166.31 39.02 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 117.761 -1.577 . . . . 0.0 109.984 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -144.97 128.64 11.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -102.18 153.02 20.34 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 113.963 -2.922 . . . . 0.0 106.942 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.98 96.53 3.02 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.475 2.398 . . . . 0.0 111.822 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -110.15 158.56 10.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.408 -1.282 . . . . 0.0 110.562 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.34 -59.44 1.89 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 124.86 1.35 . . . . 0.0 109.446 172.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.79 70.06 1.17 Allowed Glycine 0 C--N 1.359 1.837 0 CA-C-O 117.394 -1.781 . . . . 0.0 110.482 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 m 61.5 -60.44 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 118.651 1.225 . . . . 0.0 113.702 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 77' ' ' SER . 14.8 ptmm? -44.22 -19.37 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 CA-C-O 116.351 -1.785 . . . . 0.0 111.463 174.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' LYS . 1.4 t -27.98 -56.86 0.11 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-O 116.982 -1.485 . . . . 0.0 108.819 166.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.3 -51.39 45.57 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 120.004 1.275 . . . . 0.0 111.211 -173.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -51.12 -47.09 62.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.681 1.128 . . . . 0.0 110.336 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.75 -57.31 11.38 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -58.82 -33.58 70.56 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 120.895 -1.128 . . . . 0.0 109.881 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 p -68.41 -50.28 53.98 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -57.0 -35.55 69.35 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' ASP . 35.9 mtp -63.8 -53.32 52.6 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.442 178.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' MET . 19.0 t70 -41.72 -56.32 2.69 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -176.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.1 -54.2 39.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.848 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -51.12 -50.83 58.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.454 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.31 -45.8 92.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 120.578 1.535 . . . . 0.0 107.595 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -59.63 -32.99 70.94 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.926 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 t30 . . . . . 0 C--N 1.354 0.801 0 CA-C-O 117.909 -1.043 . . . . 0.0 111.502 177.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 CA--C 1.506 -0.712 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -50.52 -42.4 75.14 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 115.857 -2.021 . . . . 0.0 110.338 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 6.5 Cg_endo -76.64 -38.12 1.06 Allowed 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 123.785 2.388 . . . . 0.0 113.193 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.95 -33.05 16.41 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -73.17 0.12 Allowed 'General case' 0 C--N 1.357 0.92 0 CA-C-O 115.237 -2.316 . . . . 0.0 106.953 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' GLY . 12.6 p -40.0 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.412 0 CA-C-N 122.335 2.334 . . . . 0.0 111.542 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.07 80.02 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.97 1.259 . . . . 0.0 111.719 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.5 33.35 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.672 1.124 . . . . 0.0 112.601 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.461 ' CD1' HG23 ' A' ' 49' ' ' VAL 0.317 2.6 t80 -116.06 13.23 15.8 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.128 0.893 . . . . 0.0 113.075 177.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -147.54 25.25 1.52 Allowed Glycine 0 C--N 1.358 1.756 0 CA-C-O 118.055 -1.414 . . . . 0.0 113.549 170.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.29 52.67 0.53 Allowed Glycine 0 C--N 1.354 1.573 0 N-CA-C 106.42 -2.672 . . . . 0.0 106.42 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -117.19 72.13 0.82 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 102.229 -3.248 . . . . 0.0 102.229 -176.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -34.73 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.628 1.104 . . . . 0.0 113.354 -175.152 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' LYS . 60.2 t30 -50.41 -15.93 0.3 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -10.53 142.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 171.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.18 -58.12 1.07 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 117.063 -1.446 . . . . 0.0 112.309 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.93 118.89 16.32 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 122.355 2.343 . . . . 0.0 109.859 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.33 -178.54 5.26 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.321 1.419 . . . . 0.0 108.033 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.76 78.92 1.0 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.271 0.941 . . . . 0.0 108.823 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.97 152.56 44.3 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.123 -1.417 . . . . 0.0 111.44 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.36 177.11 2.29 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.78 1.173 . . . . 0.0 113.105 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -32.91 -65.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.105 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -171.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.465 ' HA ' ' CE1' ' A' ' 73' ' ' PHE . 70.3 m -134.78 35.32 3.13 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -142.4 116.5 9.43 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.293 3.9 pp -132.81 133.81 43.86 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.933 -1.508 . . . . 0.0 110.231 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.52 170.59 8.45 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.004 1.729 . . . . 0.0 110.322 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.18 86.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.6 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 t -93.55 101.67 13.85 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 116.222 -1.847 . . . . 0.0 111.13 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.3 166.54 17.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-N 119.833 1.197 . . . . 0.0 113.892 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.5 -4.13 58.67 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.203 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 61.31 0.28 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.472 1.942 . . . . 0.0 108.946 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.64 17.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 172.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -57.27 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.694 1.134 . . . . 0.0 111.387 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -108.16 10.06 28.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.162 174.417 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 23' ' ' PHE . 7.4 p -33.85 138.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.921 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -98.72 49.85 0.97 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.897 1.226 . . . . 0.0 108.721 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -42.32 76.39 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.86 -33.22 48.84 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.733 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -42.47 8.69 Favored Glycine 0 C--N 1.353 1.509 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -26.53 68.13 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 119.34 1.57 . . . . 0.0 111.881 -167.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -43.79 84.08 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 119.856 1.207 . . . . 0.0 112.27 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -98.29 -7.2 29.5 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.809 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -116.54 -25.59 7.37 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.444 -1.741 . . . . 0.0 111.959 179.69 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.27 -48.54 0.7 Allowed Glycine 0 C--N 1.358 1.754 0 CA-C-N 123.464 2.847 . . . . 0.0 111.98 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.5 -153.37 0.51 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.83 46.46 1.87 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.237 1.835 . . . . 0.0 109.638 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 123.29 2.12 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.29 167.03 20.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 120.085 1.943 . . . . 0.0 106.978 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 m -133.69 140.71 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.0 t -115.44 119.35 61.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.58 113.49 16.16 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 115.916 -1.992 . . . . 0.0 107.154 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 67' ' ' SER . . . -47.27 116.24 2.51 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 123.101 2.682 . . . . 0.0 110.247 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 78.4 p 122.99 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.318 1.559 . . . . 0.0 108.963 -169.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 161.0 26.45 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.458 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -130.74 154.53 40.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -139.25 114.82 9.9 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 115.645 -2.122 . . . . 0.0 107.847 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.51 156.45 17.28 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.773 1.629 . . . . 0.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.65 140.52 19.04 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 113.811 -2.995 . . . . 0.0 106.76 -177.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 37' ' ' THR 0.335 11.5 p90 -125.62 37.86 4.28 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 123.425 2.83 . . . . 0.0 110.945 -177.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.29 56.67 0.47 Allowed Glycine 0 C--N 1.36 1.912 0 O-C-N 124.153 0.908 . . . . 0.0 111.538 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . 0.288 54.4 m -148.98 -43.18 0.15 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 124.778 0.928 . . . . 0.0 108.611 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 54.23 1.95 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.222 1.374 . . . . 0.0 109.365 165.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.7 p -51.25 -44.56 61.76 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.712 -1.868 . . . . 0.0 110.109 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.02 -41.75 99.61 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.052 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.12 -39.62 75.35 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.397 0.999 . . . . 0.0 109.227 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.49 -24.82 60.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.055 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -77.54 -37.44 50.83 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 173.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -55.37 -59.45 4.78 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.073 1.306 . . . . 0.0 109.569 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 57' ' ' LEU . 12.7 pt-20 -53.08 -32.64 48.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.001 -1.08 . . . . 0.0 112.36 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.0 mtp -71.1 -47.0 60.67 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -43.63 -50.02 7.5 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.9 -43.79 49.74 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.106 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -51.52 67.37 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.702 1.592 . . . . 0.0 111.543 -177.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.52 -43.5 96.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.72 -33.22 74.68 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.661 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 t30 . . . . . 0 C--N 1.354 0.798 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.039 177.883 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptp . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.46 80.61 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 116.457 -1.735 . . . . 0.0 108.062 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -89.22 -19.78 1.48 Allowed 'Trans proline' 0 C--N 1.362 1.289 0 CA-C-N 123.308 2.217 . . . . 0.0 114.922 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.85 -31.85 5.49 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.897 2.135 . . . . 0.0 107.501 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -65.08 0.66 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.594 174.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -45.36 -37.92 2.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 CA-C-N 123.044 2.656 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.79 92.22 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.27 -21.06 3.09 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 115.768 -2.063 . . . . 0.0 115.831 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.37 -54.81 1.1 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.209 1.822 . . . . 0.0 110.473 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.3 78.62 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-O 118.504 -1.164 . . . . 0.0 111.603 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.54 4.73 83.99 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-O 117.599 -1.667 . . . . 0.0 113.228 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -74.0 81.46 1.71 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -34.9 50.57 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.333 -0.947 . . . . 0.0 111.033 -174.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -47.64 -29.66 3.14 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -23.05 155.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 119.851 3.278 . . . . 0.0 119.851 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.7 p -97.66 -63.73 1.1 Allowed 'General case' 0 C--N 1.362 1.135 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.896 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -147.88 121.6 9.25 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 120.58 1.536 . . . . 0.0 112.393 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.73 170.81 8.31 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 60.9 1.69 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.97 143.8 57.41 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.854 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -169.1 165.85 11.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 116.58 -1.676 . . . . 0.0 110.193 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.318 0.0 OUTLIER -10.1 -99.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.699 -1.62 . . . . 0.0 114.994 -177.743 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -101.97 17.14 23.92 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.562 1.983 . . . . 0.0 111.004 171.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 132.83 56.4 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.33 2.2 pp -141.3 167.17 22.82 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 175.138 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -152.5 161.55 42.43 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 113.783 -3.008 . . . . 0.0 107.211 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 t -137.78 60.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.151 0 CA-C-N 123.372 2.805 . . . . 0.0 112.377 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.0 p -72.0 88.83 1.09 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.8 163.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.322 -174.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -92.12 -12.03 34.08 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.185 -1.388 . . . . 0.0 111.347 173.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.8 79.55 0.02 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.793 1.633 . . . . 0.0 107.122 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 12.2 p -103.54 41.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 174.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 t -84.64 72.57 10.68 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 118.844 -0.598 . . . . 0.0 109.808 -172.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.82 54.72 4.59 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 50' ' ' ASP 0.3 0.2 OUTLIER -87.39 61.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -171.853 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' VAL . 42.8 p30 15.62 57.86 0.01 OUTLIER 'General case' 0 C--N 1.362 1.146 0 C-N-CA 123.643 0.777 . . . . 0.0 112.489 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -76.95 -41.3 43.78 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.7 23.72 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.998 173.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.6 -36.54 7.9 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 118.032 -1.427 . . . . 0.0 111.335 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -11.79 60.31 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.731 1.765 . . . . 0.0 111.907 -172.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.5 -32.76 28.59 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 119.582 1.083 . . . . 0.0 113.289 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -100.14 -17.58 17.34 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.984 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.17 -26.91 8.57 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.367 0.985 . . . . 0.0 112.651 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.16 -41.84 2.73 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-N 120.881 1.673 . . . . 0.0 111.955 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.23 -150.54 0.45 Allowed 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -147.41 44.52 1.13 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 121.572 1.987 . . . . 0.0 108.102 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.19 107.94 1.11 Allowed Glycine 0 C--N 1.353 1.488 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -172.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 m -129.93 172.29 16.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.96 127.24 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.5 t -103.19 124.9 57.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -173.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -136.48 82.52 1.95 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.437 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -22.11 110.37 0.01 OUTLIER Glycine 0 C--N 1.359 1.829 0 CA-C-O 116.46 -2.3 . . . . 0.0 113.214 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 46.1 t 119.81 -33.3 0.01 OUTLIER 'General case' 0 C--N 1.359 1.008 0 CA-C-N 118.944 1.372 . . . . 0.0 107.864 -167.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.35 158.02 30.76 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-O 117.849 -1.528 . . . . 0.0 110.269 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.4 t -138.02 152.97 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.842 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 145.8 49.15 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 113.937 -2.935 . . . . 0.0 108.102 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -140.91 117.71 11.03 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 122.21 2.277 . . . . 0.0 111.825 -170.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.69 123.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-O 116.073 -1.918 . . . . 0.0 106.718 -168.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.264 0.0 OUTLIER -93.47 -11.98 30.8 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 121.212 1.824 . . . . 0.0 108.992 176.811 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.56 -163.41 7.73 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 121.061 1.755 . . . . 0.0 111.14 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 t -62.79 -29.38 70.67 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 118.913 -1.115 . . . . 0.0 110.017 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -54.31 -20.29 6.91 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.51 -1.71 . . . . 0.0 111.013 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.2 p -29.75 -41.51 0.03 OUTLIER 'General case' 0 C--N 1.361 1.106 0 CA-C-N 120.976 1.716 . . . . 0.0 115.5 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.65 -44.44 96.97 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.349 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -65.06 -34.18 77.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.797 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.8 -50.75 12.74 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -48.32 -46.91 37.01 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.497 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -49.09 -41.09 34.52 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.299 1.409 . . . . 0.0 111.076 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.21 -40.2 93.85 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.4 mtp -64.16 -50.66 67.3 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.928 0.785 . . . . 0.0 109.155 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -40.36 -43.45 1.76 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.718 0.69 . . . . 0.0 109.47 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.72 82.59 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.524 -1.227 . . . . 0.0 110.63 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -52.89 -50.54 63.68 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.869 1.668 . . . . 0.0 111.637 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 mp -70.97 -45.58 72.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -170.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -62.42 -32.77 73.66 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.066 177.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 C--N 1.354 0.769 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.6 177.659 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.0 mtt . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.62 -42.83 59.53 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 115.429 -2.224 . . . . 0.0 113.371 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.09 -18.89 30.52 Favored 'Trans proline' 0 C--N 1.352 0.757 0 CA-C-N 123.961 2.45 . . . . 0.0 112.689 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.62 -5.86 28.3 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.29 170.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -75.19 -68.5 0.55 Allowed 'General case' 0 C--N 1.36 1.046 0 N-CA-C 103.586 -2.746 . . . . 0.0 103.586 -173.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -38.31 -36.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.159 0 CA-C-N 121.348 1.886 . . . . 0.0 112.403 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.25 93.4 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.187 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -48.15 -19.7 0.3 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CE2' ' HB ' ' A' ' 41' ' ' VAL . 2.0 t80 -140.14 -53.86 0.52 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.683 1.583 . . . . 0.0 109.788 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.76 -28.33 73.53 Favored Glycine 0 C--N 1.358 1.795 0 CA-C-O 117.915 -1.492 . . . . 0.0 112.762 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.23 5.39 84.41 Favored Glycine 0 C--N 1.357 1.703 0 CA-C-N 119.448 1.624 . . . . 0.0 112.721 175.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -88.02 75.01 8.81 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 102.701 -3.074 . . . . 0.0 102.701 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.07 -29.49 60.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.091 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -44.91 -27.76 0.57 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.928 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -32.05 135.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -75.32 -42.58 54.15 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.806 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -134.74 140.7 46.14 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.78 1.173 . . . . 0.0 111.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.96 129.04 11.81 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 115.771 -2.062 . . . . 0.0 106.588 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -111.92 65.74 0.63 Allowed 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.158 2.254 . . . . 0.0 109.267 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 144.45 48.79 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.792 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -163.91 170.16 17.12 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.769 1.168 . . . . 0.0 111.28 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.268 0.1 OUTLIER -25.03 -63.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 t -137.36 31.59 2.6 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.805 1.184 . . . . 0.0 108.648 177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.17 122.03 11.28 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 116.896 -1.526 . . . . 0.0 108.636 -173.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.357 3.2 pp -121.7 173.04 7.7 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.059 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -154.27 159.26 41.2 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 115.304 -2.284 . . . . 0.0 106.172 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' HB ' ' CE2' ' A' ' 23' ' ' PHE . 6.7 t -148.92 69.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 122.168 2.258 . . . . 0.0 109.32 -170.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -78.7 95.42 5.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.496 -1.24 . . . . 0.0 113.511 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 m -148.9 175.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.216 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.97 2.29 25.07 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 116.264 -1.826 . . . . 0.0 113.41 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.99 59.98 0.52 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 122.393 2.36 . . . . 0.0 110.218 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.28 0.2 OUTLIER -103.41 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.492 174.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -36.25 -44.13 0.39 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.5 1.5 . . . . 0.0 112.911 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 26.58 0.74 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.04 149.8 9.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.468 -174.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.74 65.7 1.57 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -70.71 -46.77 62.49 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.74 -34.59 3.71 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.11 0.881 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.68 -42.42 7.29 Favored Glycine 0 C--N 1.354 1.57 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -9.58 31.81 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.571 1.685 . . . . 0.0 113.108 -174.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -44.86 9.03 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -88.92 -14.62 36.3 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.41 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.3 -36.87 4.53 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.956 1.253 . . . . 0.0 112.97 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.94 -51.01 3.51 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.81 -160.0 0.7 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-O 117.548 -1.215 . . . . 0.0 107.762 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.88 37.79 4.22 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.934 1.243 . . . . 0.0 109.286 -176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.59 120.42 2.14 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 107.581 -2.208 . . . . 0.0 107.581 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.43 174.87 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.14 140.62 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 t -114.84 130.4 69.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.45 87.55 2.02 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 116.893 -1.527 . . . . 0.0 108.214 -174.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -26.4 107.65 0.01 OUTLIER Glycine 0 C--N 1.359 1.816 0 CA-C-O 116.532 -2.26 . . . . 0.0 112.329 -176.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 56.4 p 127.07 -33.59 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 CA-C-N 118.634 1.217 . . . . 0.0 107.962 -166.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.94 174.32 45.26 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.99 144.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.22 143.18 50.76 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 114.15 -2.834 . . . . 0.0 107.833 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -128.92 144.16 51.1 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.211 1.823 . . . . 0.0 109.808 -175.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . 0.277 1.0 OUTLIER -139.33 118.61 13.21 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-O 117.033 -1.46 . . . . 0.0 107.674 -172.59 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -110.9 42.94 1.52 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' LYS . . . -85.17 -166.71 42.23 Favored Glycine 0 C--N 1.359 1.821 0 CA-C-O 117.224 -1.876 . . . . 0.0 109.752 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p 53.62 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.359 0.985 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.7 ptpp? -105.1 54.75 0.7 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 104.398 -2.445 . . . . 0.0 104.398 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.5 t -75.83 -50.78 14.15 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.26 -38.29 73.65 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -66.36 -47.0 74.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.891 0.769 . . . . 0.0 110.075 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.31 -49.17 58.28 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -55.25 -37.68 67.53 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.315 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.44 -46.68 86.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.887 1.221 . . . . 0.0 107.777 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.431 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 72.5 mm-40 -59.05 -41.48 87.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.2 mtp -56.69 -48.35 77.87 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.822 1.192 . . . . 0.0 109.335 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -54.06 -45.98 71.82 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.45 -39.88 48.96 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.642 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.431 ' CE1' ' O ' ' A' ' 83' ' ' GLU . 4.9 m-30 -64.63 -47.44 78.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.464 1.029 . . . . 0.0 112.378 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.29 -37.58 80.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -67.44 -31.75 72.15 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.524 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -79.11 -19.52 50.95 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.523 -1.227 . . . . 0.0 111.699 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.01 33.16 4.8 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.694 1.134 . . . . 0.0 109.649 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.602 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -178.005 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.86 -44.19 77.32 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-O 115.391 -2.242 . . . . 0.0 111.228 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.55 -40.23 3.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 124.404 2.609 . . . . 0.0 112.942 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.39 -31.35 72.41 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.378 0.99 . . . . 0.0 109.281 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.5 tm? -77.91 -67.24 0.75 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-O 115.45 -2.214 . . . . 0.0 105.255 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -40.58 -34.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 122.426 2.375 . . . . 0.0 111.081 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.97 79.34 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.111 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.03 -16.66 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -142.28 -52.78 0.41 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.706 1.594 . . . . 0.0 109.674 177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.57 -20.06 67.56 Favored Glycine 0 C--N 1.358 1.774 0 CA-C-O 117.128 -1.929 . . . . 0.0 113.687 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.38 18.32 51.46 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 120.09 1.945 . . . . 0.0 111.53 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -95.18 55.97 1.85 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 104.354 -2.462 . . . . 0.0 104.354 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.81 -25.9 5.04 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.422 1.01 . . . . 0.0 112.029 -169.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -51.1 -16.55 0.48 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.0 152.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -64.11 -56.05 17.6 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 116.455 -1.735 . . . . 0.0 112.397 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -135.51 142.48 45.45 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-N 121.924 2.147 . . . . 0.0 112.004 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.6 148.99 45.88 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 173.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.59 55.44 1.53 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 120.526 1.512 . . . . 0.0 107.441 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 138.2 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.638 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ILE . 3.9 t -163.22 163.89 25.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.46 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.308 0.8 OUTLIER -4.18 -94.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -179.507 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -116.84 29.49 7.9 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -137.83 127.51 25.23 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.324 3.7 pp -130.54 176.52 8.1 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -157.37 156.68 32.71 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.007 -1.949 . . . . 0.0 106.137 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.25 75.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 120.286 1.403 . . . . 0.0 107.841 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -72.63 111.64 7.96 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.115 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -164.58 151.85 2.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.36 -174.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.87 74.36 1.12 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.16 48.9 2.3 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.949 -2.612 . . . . 0.0 103.949 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.28 2.86 2.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.335 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.8 t -48.81 -33.55 10.67 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.824 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -164.59 -64.8 0.04 OUTLIER 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.925 -1.512 . . . . 0.0 110.743 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS 0.321 9.0 p 42.63 177.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.065 0 O-C-N 124.48 1.113 . . . . 0.0 113.421 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.6 50.85 2.17 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.33 -45.86 68.45 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.59 -34.72 0.39 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.63 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 -48.51 3.15 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 119.119 -0.823 . . . . 0.0 111.192 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -24.28 23.88 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -177.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -32.81 62.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 116.045 1.868 . . . . 0.0 116.045 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.65 -40.86 5.86 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 124.247 0.967 . . . . 0.0 109.968 176.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.67 -55.06 9.59 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.51 -49.76 5.03 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-O 119.173 -0.793 . . . . 0.0 111.607 -171.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.56 -166.0 1.05 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.5 37.51 2.91 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.71 1.141 . . . . 0.0 108.344 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.68 98.59 0.36 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -173.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -120.93 161.57 20.65 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.57 151.03 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.07 94.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -109.77 87.11 2.43 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.807 -1.568 . . . . 0.0 108.717 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -23.74 104.5 0.01 OUTLIER Glycine 0 C--N 1.36 1.888 0 CA-C-O 116.567 -2.241 . . . . 0.0 112.701 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 m 130.74 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.043 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -167.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.24 158.97 31.11 Favored Glycine 0 C--N 1.355 1.607 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.7 t -135.74 133.77 51.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -112.82 149.4 33.12 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 112.873 -3.441 . . . . 0.0 107.036 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -138.72 125.49 20.94 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 123.27 2.759 . . . . 0.0 112.276 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -131.09 126.58 59.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-N 121.679 2.036 . . . . 0.0 108.666 -171.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.302 0.0 OUTLIER -96.86 -7.99 32.08 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.875 178.264 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 -159.63 27.66 Favored Glycine 0 C--N 1.359 1.855 0 CA-C-N 120.395 1.452 . . . . 0.0 109.769 169.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.0 t -63.89 -30.92 71.96 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.667 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -51.43 -26.49 8.15 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.466 1.03 . . . . 0.0 110.782 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -37.72 -34.08 0.09 Allowed 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 116.289 -1.815 . . . . 0.0 115.144 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -62.6 -47.34 84.22 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 122.301 2.319 . . . . 0.0 108.499 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -69.18 -38.54 78.75 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.888 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.17 -38.81 60.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -36.77 64.43 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.251 -1.531 . . . . 0.0 110.076 172.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -60.36 -48.01 83.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.167 1.349 . . . . 0.0 109.718 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 120.07 1.305 . . . . 0.0 109.347 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 39.2 mtm -67.59 -40.95 84.8 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -48.69 -53.83 17.25 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -54.14 -48.47 70.8 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.102 -1.427 . . . . 0.0 109.657 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.1 OUTLIER -44.88 -59.62 2.46 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 120.316 1.416 . . . . 0.0 111.557 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.5 -43.96 97.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.207 -173.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -64.12 -29.34 70.47 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.24 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.97 -22.36 49.56 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.938 177.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.85 33.98 4.97 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 118.991 0.814 . . . . 0.0 109.254 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.608 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -177.172 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 116.872 -1.537 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 -48.02 29.8 Favored Pre-proline 0 C--N 1.356 0.861 0 CA-C-O 116.192 -1.861 . . . . 0.0 112.299 176.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.65 -39.78 6.29 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.947 2.445 . . . . 0.0 112.077 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -30.51 71.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.264 0.938 . . . . 0.0 109.643 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -76.76 -66.08 0.86 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 -173.514 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -44.39 -36.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 CA-C-N 121.41 1.914 . . . . 0.0 109.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -40.73 91.25 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.878 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -45.96 -27.44 0.9 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.785 -1.579 . . . . 0.0 115.2 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' A' ' 41' ' ' VAL . 0.9 OUTLIER -128.66 -52.84 1.25 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 120.063 1.301 . . . . 0.0 110.526 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.22 -18.23 76.5 Favored Glycine 0 C--N 1.358 1.752 0 CA-C-O 117.617 -1.657 . . . . 0.0 113.716 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.04 14.68 62.42 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 119.705 1.752 . . . . 0.0 111.451 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -87.76 74.43 9.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 104.27 -2.493 . . . . 0.0 104.27 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -36.26 18.61 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.888 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -43.19 -31.99 0.68 Allowed 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -20.67 159.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 121.8 4.0 . . . . 0.0 121.8 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.94 -56.5 2.23 Favored 'General case' 0 C--N 1.364 1.211 0 CA-C-O 116.62 -1.657 . . . . 0.0 111.999 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.42 128.12 10.86 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 123.697 2.953 . . . . 0.0 113.486 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.66 168.93 10.55 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 120.182 1.356 . . . . 0.0 108.04 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.62 77.99 1.72 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 150.67 48.26 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.386 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -169.02 177.2 5.01 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.541 1.064 . . . . 0.0 112.063 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.327 0.0 OUTLIER -30.43 -71.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -174.365 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -125.71 32.68 5.25 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -137.78 135.08 35.99 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.874 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 pp -147.63 119.23 7.97 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 115.747 -2.073 . . . . 0.0 107.514 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -100.43 168.84 9.49 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 122.848 2.567 . . . . 0.0 109.168 -175.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.459 ' HB ' ' CZ ' ' A' ' 23' ' ' PHE . 1.3 t -142.01 69.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.988 0 CA-C-N 119.535 1.061 . . . . 0.0 112.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -69.83 108.64 4.04 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.482 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.77 164.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 CA-C-N 119.977 1.262 . . . . 0.0 113.373 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -101.94 -13.35 17.64 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.239 -1.839 . . . . 0.0 112.565 172.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.15 76.03 0.01 OUTLIER 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.819 2.099 . . . . 0.0 109.114 169.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.6 p -109.17 35.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -70.42 -62.7 1.29 Allowed 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.35 13.01 2.38 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.502 -1.237 . . . . 0.0 114.035 173.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.25 132.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.476 1.489 . . . . 0.0 111.218 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -86.86 71.4 10.31 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -79.56 -39.78 30.99 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.78 -29.83 8.51 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.611 . . . . 0.0 110.757 175.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 -39.54 8.09 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.751 -1.027 . . . . 0.0 111.035 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.1 -18.55 64.68 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 117.03 -1.462 . . . . 0.0 112.163 -173.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -32.23 38.4 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 119.686 1.13 . . . . 0.0 113.121 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.17 -18.68 16.8 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 117.595 -1.193 . . . . 0.0 112.035 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.47 -34.78 6.42 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.839 1.199 . . . . 0.0 111.937 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.19 -49.05 2.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 120.74 1.609 . . . . 0.0 110.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.19 -162.17 0.89 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.08 56.23 0.89 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 121.173 1.806 . . . . 0.0 109.774 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.2 73.87 0.03 OUTLIER Glycine 0 C--N 1.351 1.376 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.3 m -111.02 169.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 118.83 1.315 . . . . 0.0 108.626 -177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.59 135.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.21 127.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.81 93.11 2.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.561 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -30.31 112.11 0.04 OUTLIER Glycine 0 C--N 1.358 1.756 0 CA-C-O 115.71 -2.717 . . . . 0.0 111.782 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 74.6 m 120.82 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.12 1.46 . . . . 0.0 108.837 -167.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.42 162.86 32.48 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.041 -1.422 . . . . 0.0 110.575 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.2 t -136.41 117.15 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.847 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -85.88 158.06 20.03 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . 0.309 . . -150.31 127.21 11.08 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.294 -1.336 . . . . 0.0 109.11 178.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -147.37 151.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-N 119.963 1.256 . . . . 0.0 108.594 -169.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -124.15 70.59 1.1 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -33.22 -95.79 0.01 OUTLIER Glycine 0 C--N 1.362 2.015 0 O-C-N 125.246 1.591 . . . . 0.0 114.242 -168.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -101.37 -26.04 13.74 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.643 1.221 . . . . 0.0 111.651 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -64.78 -4.65 4.57 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 120.483 1.492 . . . . 0.0 113.022 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -32.98 -39.91 0.05 OUTLIER 'General case' 0 C--N 1.351 0.649 0 CA-C-N 121.216 1.825 . . . . 0.0 113.989 166.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.35 -50.66 72.24 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 120.741 1.61 . . . . 0.0 109.381 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -61.69 -41.81 98.08 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 119.045 -0.503 . . . . 0.0 112.025 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.56 -47.66 31.41 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.133 -174.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -48.03 -36.43 12.86 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.81 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -61.96 -46.83 87.54 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.908 1.685 . . . . 0.0 109.14 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.71 -40.89 96.64 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.6 mtt -66.53 -36.33 82.43 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.64 -44.91 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.94 -50.13 71.6 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.588 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.74 -61.44 1.25 Allowed 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.761 1.619 . . . . 0.0 111.209 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.1 -44.07 98.56 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.855 -173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -60.78 -31.64 70.99 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.389 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -81.72 -17.63 47.19 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.701 -1.143 . . . . 0.0 111.448 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.11 38.7 3.63 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.487 1.04 . . . . 0.0 108.622 -176.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.595 0 C-N-CA 120.035 -1.079 . . . . 0.0 110.922 -174.086 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.65 -41.34 89.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 115.738 -2.077 . . . . 0.0 111.752 174.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.45 -34.58 9.36 Favored 'Trans proline' 0 C--N 1.353 0.804 0 CA-C-N 123.798 2.392 . . . . 0.0 111.486 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -31.12 71.11 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.474 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -64.94 -67.15 0.46 Allowed 'General case' 0 C--N 1.356 0.88 0 CA-C-O 115.305 -2.283 . . . . 0.0 105.86 -177.254 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -42.05 -37.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.339 0 CA-C-N 122.107 2.23 . . . . 0.0 111.36 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.48 91.29 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.105 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.91 -13.83 0.12 Allowed 'General case' 0 C--N 1.359 0.978 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' CD1' HG23 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -145.85 -48.17 0.21 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-N 121.602 2.001 . . . . 0.0 111.503 177.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.31 -26.3 74.4 Favored Glycine 0 C--N 1.359 1.828 0 CA-C-O 117.552 -1.694 . . . . 0.0 112.567 170.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.5 0.63 68.28 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 119.624 1.712 . . . . 0.0 112.444 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -71.53 85.95 0.87 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 172.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.09 78.6 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.052 0.842 . . . . 0.0 110.091 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -42.92 -29.62 0.34 Allowed 'General case' 0 C--N 1.358 0.962 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -13.98 155.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.695 1 N-CA-C 122.33 4.196 . . . . 0.0 122.33 174.093 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -54.45 2.52 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 117.056 -1.45 . . . . 0.0 111.271 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -151.38 109.09 3.65 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 121.959 2.163 . . . . 0.0 112.669 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.02 162.38 15.95 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.661 1.118 . . . . 0.0 108.084 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.75 68.0 1.44 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.34 146.26 48.73 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.394 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.97 166.43 21.61 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.674 1.124 . . . . 0.0 111.427 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.276 0.1 OUTLIER -24.99 -66.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -173.208 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 p -133.85 35.57 3.33 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -154.26 111.0 3.33 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.932 -1.509 . . . . 0.0 109.035 -170.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.373 3.2 pp -115.34 -178.41 3.37 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.778 1.172 . . . . 0.0 108.398 178.045 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -158.87 155.44 27.77 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 114.834 -2.507 . . . . 0.0 106.995 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.58 64.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 121.898 2.135 . . . . 0.0 111.245 -171.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -69.1 98.06 0.95 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 117.373 -1.299 . . . . 0.0 112.003 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.4 170.82 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.141 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.089 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.92 4.27 15.74 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 116.356 -1.783 . . . . 0.0 112.996 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.46 58.94 0.78 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.555 2.434 . . . . 0.0 109.601 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -93.13 -4.52 10.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.093 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.2 t -31.72 -51.75 0.22 Allowed 'General case' 0 C--N 1.362 1.115 0 CA-C-N 119.989 1.268 . . . . 0.0 112.974 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 26.01 0.78 Allowed 'General case' 0 C--N 1.354 0.768 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG23 ' CD1' ' A' ' 23' ' ' PHE . 13.4 p -57.19 152.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.946 -174.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -102.89 64.21 0.85 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -70.44 -45.1 66.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -33.82 1.76 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.053 0.846 . . . . 0.0 110.726 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -49.23 5.2 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 -15.01 41.35 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.3 1.55 . . . . 0.0 112.452 -170.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -45.2 17.99 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -88.8 -35.33 16.69 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.717 1.261 . . . . 0.0 110.674 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -89.1 -44.57 10.24 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.388 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.47 -56.25 3.03 Favored Glycine 0 C--N 1.351 1.391 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.48 -151.69 0.45 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.61 40.54 2.2 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.295 1.407 . . . . 0.0 109.77 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.02 107.92 0.86 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.276 -1.847 . . . . 0.0 109.041 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.71 171.86 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-N 119.464 1.632 . . . . 0.0 106.631 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.17 134.39 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.71 127.22 62.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -138.84 90.69 2.46 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.87 -1.538 . . . . 0.0 107.993 -176.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -29.0 112.46 0.03 OUTLIER Glycine 0 C--N 1.358 1.802 0 CA-C-O 116.094 -2.503 . . . . 0.0 111.858 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 36.4 t 117.35 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.012 1.406 . . . . 0.0 109.508 -167.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.24 163.31 31.31 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.817 -1.546 . . . . 0.0 110.848 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -138.68 135.2 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -108.57 152.39 24.83 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 114.025 -2.893 . . . . 0.0 107.085 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -142.09 126.51 17.72 Favored 'General case' 0 C--N 1.363 1.182 0 CA-C-N 122.229 2.286 . . . . 0.0 112.001 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.3 125.47 67.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.303 1.865 . . . . 0.0 109.378 -169.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -116.04 50.04 1.06 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.76 165.93 19.14 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 m 82.74 -42.66 0.12 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.947 1.373 . . . . 0.0 109.66 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.78 55.25 1.0 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.039 1.29 . . . . 0.0 110.579 174.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -55.08 22.86 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.72 -41.1 69.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.273 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -61.12 -44.52 97.22 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.862 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -67.44 0.44 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -31.74 0.51 Allowed 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.255 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -64.4 -69.37 0.29 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.766 1.166 . . . . 0.0 109.43 174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.4 -34.58 58.27 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 118.984 0.811 . . . . 0.0 110.657 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.45 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 42.6 mtp -63.24 -45.89 89.5 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.514 1.052 . . . . 0.0 108.9 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -48.2 -47.07 35.7 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.68 -42.82 93.8 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.696 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.45 ' CD2' ' HA ' ' A' ' 84' ' ' MET . 6.0 m-30 -56.34 -49.78 73.38 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.54 1.063 . . . . 0.0 110.239 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.66 -42.1 94.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -64.7 -28.46 69.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.494 0.588 . . . . 0.0 111.233 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -74.97 -20.74 59.53 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.181 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.25 24.22 5.93 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.359 0.981 . . . . 0.0 111.357 -176.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.599 0 N-CA-C 108.314 -1.914 . . . . 0.0 108.314 -177.797 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 C--O 1.217 -0.655 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -55.75 -41.75 92.53 Favored Pre-proline 0 C--N 1.354 0.783 0 CA-C-N 122.224 2.284 . . . . 0.0 111.022 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 11.5 Cg_endo -70.82 -50.28 0.36 Allowed 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-N 123.726 2.366 . . . . 0.0 111.75 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.58 86.43 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.561 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -67.15 0.5 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -175.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.46 -33.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.092 0 CA-C-N 120.873 1.669 . . . . 0.0 110.774 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.35 92.64 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 120.126 -0.629 . . . . 0.0 111.146 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.77 -22.47 2.15 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -132.29 -49.15 0.92 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.969 1.713 . . . . 0.0 110.901 176.12 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.97 -20.47 78.9 Favored Glycine 0 C--N 1.359 1.84 0 CA-C-O 117.55 -1.695 . . . . 0.0 113.113 173.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.41 13.54 66.99 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 119.751 1.776 . . . . 0.0 111.54 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.31 57.42 1.22 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 102.859 -3.015 . . . . 0.0 102.859 173.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.02 -23.91 15.15 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.097 -174.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -55.93 -9.47 0.59 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.79 153.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.8 p -70.61 -50.7 34.28 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-O 116.501 -1.714 . . . . 0.0 111.445 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -135.27 146.6 48.71 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 121.931 2.15 . . . . 0.0 113.071 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.15 164.2 19.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.06 70.64 1.2 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.76 153.19 37.15 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.014 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -168.09 -178.92 3.88 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.621 0.646 . . . . 0.0 111.273 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -36.46 -54.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -144.21 42.69 1.41 Allowed 'General case' 0 C--N 1.35 0.598 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -138.94 142.4 38.44 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.42 122.92 9.1 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 114.249 -2.786 . . . . 0.0 108.89 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.94 151.89 46.36 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 120.646 1.566 . . . . 0.0 108.914 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.56 90.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 -175.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.52 122.3 33.23 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 120.179 1.354 . . . . 0.0 109.674 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -158.35 165.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 119.421 1.01 . . . . 0.0 109.556 -166.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.77 -56.75 18.14 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.157 -1.402 . . . . 0.0 110.815 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -21.12 -101.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.153 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER 49.05 17.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.04 0 CA-C-N 122.722 2.51 . . . . 0.0 113.557 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 t -138.92 -76.64 0.36 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.205 0.911 . . . . 0.0 108.862 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -21.15 62.9 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.468 1.031 . . . . 0.0 111.411 175.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.11 150.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.894 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -98.2 50.52 1.01 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 118.507 0.594 . . . . 0.0 110.774 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.509 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 6.4 mt-30 -64.92 -38.62 91.58 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -37.22 -38.79 0.23 Allowed 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.629 -0.701 . . . . 0.0 112.089 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -41.73 6.02 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 118.581 -1.122 . . . . 0.0 111.241 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -18.66 64.52 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.66 1.73 . . . . 0.0 111.658 -174.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -39.25 34.9 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -8.77 21.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.416 -1.278 . . . . 0.0 112.634 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.52 -38.02 5.05 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.283 1.401 . . . . 0.0 111.484 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.95 -67.43 1.17 Allowed Glycine 0 C--N 1.356 1.675 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.42 -165.19 1.23 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -142.8 63.12 1.39 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.158 1.345 . . . . 0.0 107.981 -174.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.7 93.94 0.88 Allowed Glycine 0 C--N 1.351 1.371 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.07 169.78 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 119.261 1.531 . . . . 0.0 108.571 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -133.45 145.04 34.37 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.29 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 -177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.31 97.42 3.29 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 116.489 -1.719 . . . . 0.0 107.956 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.38 112.05 0.06 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 116.205 -2.442 . . . . 0.0 111.491 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 71.2 m 114.54 -16.36 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-N 119.203 1.501 . . . . 0.0 109.803 -167.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.63 174.74 45.12 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 120.938 1.699 . . . . 0.0 111.503 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -152.99 108.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 118.622 1.211 . . . . 0.0 107.982 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.69 147.49 24.49 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-O 116.611 -1.661 . . . . 0.0 107.591 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . 0.257 . . -132.12 146.26 51.92 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.77 149.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-O 115.481 -2.199 . . . . 0.0 107.547 -169.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . 0.253 4.5 p90 -138.23 48.87 1.95 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.598 1.999 . . . . 0.0 113.014 -178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.91 13.25 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-O 118.337 -1.257 . . . . 0.0 110.958 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.2 p -74.04 90.43 1.99 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.787 1.294 . . . . 0.0 108.604 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 84.98 30.78 0.05 OUTLIER 'General case' 0 C--N 1.358 0.957 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.125 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -56.14 1.55 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -53.65 -43.32 68.68 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.387 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 118.921 0.782 . . . . 0.0 111.413 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -69.29 -46.47 67.12 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -58.16 -31.51 67.31 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.589 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -62.86 -44.51 95.93 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.685 1.129 . . . . 0.0 108.726 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.46 -39.02 89.35 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.397 0.999 . . . . 0.0 108.972 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.59 -42.26 87.24 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.159 0.891 . . . . 0.0 108.813 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -50.09 -53.23 28.68 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -48.13 -49.28 32.7 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.054 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -46.63 -62.97 1.14 Allowed 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.709 1.14 . . . . 0.0 110.284 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.56 -45.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.608 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -62.27 -31.67 72.29 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.217 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -77.87 -21.27 51.61 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.08 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.86 36.11 4.38 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.921 0.782 . . . . 0.0 109.457 -177.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.74 0 C-N-CA 120.181 -1.009 . . . . 0.0 111.469 -178.864 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 77.4 mtp . . . . . 0 CA--C 1.509 -0.632 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.43 -41.61 90.09 Favored Pre-proline 0 C--N 1.352 0.701 0 CA-C-O 116.025 -1.941 . . . . 0.0 111.436 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -72.93 -30.21 11.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 CA-C-N 124.779 2.742 . . . . 0.0 112.239 172.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.33 71.23 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.415 1.461 . . . . 0.0 108.977 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.07 -66.57 0.48 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.23 -1.843 . . . . 0.0 109.008 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.3 p -46.19 -36.61 2.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 122.093 2.224 . . . . 0.0 110.118 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.03 86.0 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 119.204 -0.998 . . . . 0.0 111.481 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -22.4 31.14 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -133.35 -46.02 0.83 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.934 1.697 . . . . 0.0 110.366 175.184 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.94 -22.65 78.71 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 117.436 -1.758 . . . . 0.0 113.907 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.14 9.79 72.18 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-N 120.191 1.996 . . . . 0.0 112.275 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -82.16 79.22 8.71 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -34.34 67.99 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.062 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -45.17 -28.52 0.77 Allowed 'General case' 0 C--N 1.357 0.907 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -12.94 151.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 121.517 3.895 . . . . 0.0 121.517 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 p -104.03 -61.77 1.4 Allowed 'General case' 0 C--N 1.364 1.217 0 CA-C-O 118.232 -0.889 . . . . 0.0 111.478 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -143.39 104.5 4.25 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.5 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.71 163.7 13.03 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 119.895 1.225 . . . . 0.0 109.046 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.26 69.08 1.48 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 144.67 56.93 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.931 -1.509 . . . . 0.0 110.88 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -163.34 169.11 19.52 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 120.347 1.43 . . . . 0.0 112.292 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.293 0.0 OUTLIER -26.19 -69.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -174.216 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -131.2 35.49 3.9 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -150.51 102.9 3.08 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 117.724 -1.131 . . . . 0.0 108.762 -173.336 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 71' ' ' ALA . 4.3 pp -120.2 142.28 49.14 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 115.146 -2.359 . . . . 0.0 107.244 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -123.13 167.54 13.56 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 114.86 -2.495 . . . . 0.0 109.087 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.42 57.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.244 0 CA-C-N 121.647 2.021 . . . . 0.0 115.259 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -71.89 88.69 1.05 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.97 152.72 15.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.993 -174.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.01 -6.95 59.69 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.499 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.98 68.34 0.16 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.058 1.754 . . . . 0.0 108.379 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.89 30.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.049 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 t -72.77 -85.02 0.03 OUTLIER 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.659 -1.162 . . . . 0.0 109.895 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.89 5.06 49.43 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.899 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 p -40.91 141.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.781 -171.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.2 p30 -95.19 53.17 1.5 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.8 1.182 . . . . 0.0 108.275 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 22.0 mt-30 -63.37 -44.99 93.19 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.03 -32.47 1.69 Allowed 'General case' 0 C--N 1.348 0.527 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.426 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.35 -44.2 4.41 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-O 118.412 -1.215 . . . . 0.0 111.757 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.61 -24.1 65.23 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.069 1.934 . . . . 0.0 110.594 -175.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -47.37 63.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -90.4 -38.87 13.02 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -38.61 15.84 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.612 -175.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.3 -52.21 3.66 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 121.182 1.81 . . . . 0.0 109.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.26 -163.6 1.0 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.95 38.11 3.85 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.143 0.883 . . . . 0.0 109.244 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.89 114.32 1.21 Allowed Glycine 0 C--N 1.354 1.532 0 CA-C-O 117.089 -1.951 . . . . 0.0 109.697 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.68 175.39 11.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 119.255 1.527 . . . . 0.0 108.778 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.06 133.92 13.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.21 133.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -173.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -144.04 85.73 1.82 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.984 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -24.85 109.73 0.01 OUTLIER Glycine 0 C--N 1.358 1.761 0 CA-C-O 116.5 -2.278 . . . . 0.0 112.592 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 89.8 p 119.19 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.359 0.987 0 CA-C-N 118.742 1.271 . . . . 0.0 108.679 -165.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.11 168.8 41.18 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.473 -1.181 . . . . 0.0 111.419 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.0 t -137.31 143.12 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 132.92 49.59 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 114.774 -2.536 . . . . 0.0 107.195 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -133.04 143.99 49.75 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.725 1.602 . . . . 0.0 108.899 -169.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.12 135.51 47.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 CA-C-O 116.265 -1.826 . . . . 0.0 107.828 -172.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 38' ' ' ARG . 3.7 p90 -127.03 55.78 1.55 Allowed 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.16 -141.72 9.8 Favored Glycine 0 C--N 1.358 1.767 0 CA-C-O 116.808 -2.106 . . . . 0.0 108.011 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t 36.5 -113.18 0.09 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-N 118.976 1.388 . . . . 0.0 110.986 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.98 62.01 0.11 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.355 1.434 . . . . 0.0 108.419 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 p -72.49 -52.57 15.2 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 119.361 -2.087 . . . . 0.0 106.951 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.045 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.4 -42.26 71.92 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.976 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.45 -30.73 66.37 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.498 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -78.17 -29.1 48.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.961 1.255 . . . . 0.0 109.144 174.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -62.0 -56.05 23.07 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.211 1.369 . . . . 0.0 108.25 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -55.85 -39.02 70.85 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.392 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.8 mtm -62.44 -41.74 98.96 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 120.226 1.376 . . . . 0.0 107.577 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -51.84 -47.49 64.37 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.9 -40.61 85.0 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.663 -1.161 . . . . 0.0 110.193 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -55.46 -46.03 76.86 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.139 1.336 . . . . 0.0 111.928 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.92 -43.26 68.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -61.1 -31.01 70.7 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -78.65 -27.14 45.26 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.759 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.57 39.73 3.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -176.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.608 0 C-N-CA 119.939 -1.124 . . . . 0.0 111.505 -176.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.7 mtp . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 117.432 -1.271 . . . . 0.0 113.448 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.79 -45.86 86.71 Favored Pre-proline 0 C--N 1.352 0.688 0 CA-C-N 120.937 1.699 . . . . 0.0 110.417 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HG3' ' CD1' ' A' ' 87' ' ' TYR . 77.4 Cg_endo -89.14 -22.25 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 123.096 2.141 . . . . 0.0 114.587 176.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.42 -35.51 12.91 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 121.521 1.964 . . . . 0.0 107.094 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.53 21.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.442 -1.266 . . . . 0.0 108.658 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -35.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 CA-C-N 120.554 1.525 . . . . 0.0 109.25 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.55 77.53 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.94 -32.18 1.53 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.08 -1.914 . . . . 0.0 112.866 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.99 -49.32 1.6 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.905 1.23 . . . . 0.0 110.604 177.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 5.54 43.28 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-O 116.505 -2.275 . . . . 0.0 113.351 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.79 -4.84 48.46 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 121.018 2.409 . . . . 0.0 113.268 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 81.11 7.99 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 121.195 2.498 . . . . 0.0 104.64 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -47.54 -29.84 3.12 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.244 1.383 . . . . 0.0 110.267 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ILE . 43.9 t30 -44.95 -21.93 0.07 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-O 116.642 -1.647 . . . . 0.0 114.491 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.1 mp -6.6 149.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 119.762 3.245 . . . . 0.0 119.762 169.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.4 -52.23 2.73 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.951 -1.499 . . . . 0.0 110.371 -174.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.15 109.73 3.82 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-N 122.08 2.218 . . . . 0.0 111.531 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -109.9 170.25 8.19 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.836 1.198 . . . . 0.0 108.7 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.57 71.79 1.4 Allowed 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 148.47 42.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.577 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.69 173.4 11.93 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.956 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -33.38 -57.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . 0.286 0.9 OUTLIER -146.74 45.2 1.19 Allowed 'General case' 0 C--N 1.345 0.387 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 179.575 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -146.65 136.23 23.02 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.2 pp -150.17 100.99 2.96 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.224 -1.846 . . . . 0.0 108.621 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -83.64 168.65 16.13 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 115.141 -2.362 . . . . 0.0 110.746 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.67 62.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.209 0 CA-C-N 122.363 2.347 . . . . 0.0 112.667 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m -75.31 117.02 16.66 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 112.325 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 m -147.85 163.98 6.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.181 0 CA-C-N 119.223 0.92 . . . . 0.0 110.691 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.1 40.55 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.643 -1.17 . . . . 0.0 110.747 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -44.61 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.63 -1.176 . . . . 0.0 113.864 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.298 0.7 OUTLIER 42.33 19.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.017 1.735 . . . . 0.0 114.519 -174.804 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 t -69.73 -45.84 67.28 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.027 1.285 . . . . 0.0 108.704 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 22.52 3.13 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.916 0.76 . . . . 0.0 111.295 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 p -65.04 156.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.468 -170.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -103.7 66.13 0.85 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.956 0.798 . . . . 0.0 109.659 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -61.83 -41.33 97.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.695 1.134 . . . . 0.0 108.25 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.88 -31.78 0.54 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.139 0.881 . . . . 0.0 112.149 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.99 -45.42 4.17 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.717 171.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -31.71 72.21 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 120.835 2.317 . . . . 0.0 107.79 -171.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -50.02 73.75 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -92.14 -45.38 8.3 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 124.092 0.87 . . . . 0.0 109.911 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.01 -26.69 33.61 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.611 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.84 -67.06 0.97 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 121.128 1.785 . . . . 0.0 109.184 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.17 -148.14 0.33 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.86 59.45 0.31 Allowed 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.463 1.938 . . . . 0.0 110.451 169.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.69 71.69 0.01 OUTLIER Glycine 0 C--N 1.352 1.429 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -108.86 174.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 118.576 1.188 . . . . 0.0 109.507 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.03 137.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.68 137.13 40.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -146.89 93.26 2.25 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.737 -1.601 . . . . 0.0 108.797 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.92 111.6 0.06 OUTLIER Glycine 0 C--N 1.358 1.792 0 CA-C-O 116.336 -2.369 . . . . 0.0 111.603 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 80.8 p 120.71 -24.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.022 0 CA-C-N 118.787 1.294 . . . . 0.0 109.591 -166.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.17 165.37 32.84 Favored Glycine 0 C--N 1.353 1.488 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.15 136.08 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 166.21 10.54 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . 0.271 . . -159.75 115.42 2.44 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 121.285 1.857 . . . . 0.0 108.776 178.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.81 160.89 41.79 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 CA-C-O 117.61 -1.186 . . . . 0.0 108.173 -166.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -119.86 -54.67 2.13 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 118.477 -0.773 . . . . 0.0 112.442 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.19 -69.61 0.37 Allowed Glycine 0 C--N 1.358 1.774 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 m -162.34 -49.56 0.04 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.381 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -61.53 8.53 0.04 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.205 -1.855 . . . . 0.0 113.083 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -48.53 -49.47 35.99 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 124.195 3.18 . . . . 0.0 110.144 172.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -48.37 -40.18 24.77 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.403 1.001 . . . . 0.0 111.076 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -61.92 -48.14 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.246 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -50.16 15.27 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -48.22 -35.38 11.8 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.89 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -58.77 -44.19 90.56 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.816 1.189 . . . . 0.0 109.635 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -53.98 -36.41 62.88 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 109.144 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.79 -47.99 70.4 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -45.59 -51.62 11.76 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.359 0.982 . . . . 0.0 109.289 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.87 -48.53 31.19 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.227 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 17' ' ' PRO . 9.4 t80 -51.81 -50.52 60.62 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 119.992 1.269 . . . . 0.0 113.453 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.2 mp -66.26 -41.38 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -63.39 -33.83 76.41 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.27 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -77.57 -22.51 50.85 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.907 -1.044 . . . . 0.0 111.663 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.73 36.81 4.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.61 0 C-N-CA 120.079 -1.058 . . . . 0.0 110.738 -175.681 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.6 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 116.82 -1.562 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.95 -43.93 85.11 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-N 121.994 2.179 . . . . 0.0 111.351 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -74.09 -30.65 8.63 Favored 'Trans proline' 0 C--N 1.363 1.32 0 CA-C-N 123.662 2.344 . . . . 0.0 112.566 175.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.885 1.221 . . . . 0.0 108.818 171.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -65.37 -66.64 0.52 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 -177.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.8 p -43.96 -37.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.212 0 CA-C-N 121.446 1.93 . . . . 0.0 110.569 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.9 97.33 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -44.27 -28.56 0.54 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-O 115.252 -2.309 . . . . 0.0 114.61 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -129.58 -57.11 1.13 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.838 2.108 . . . . 0.0 110.033 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.64 -24.4 62.02 Favored Glycine 0 C--N 1.36 1.877 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.292 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.33 7.24 63.9 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 117.084 -1.953 . . . . 0.0 112.665 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -68.72 85.68 0.31 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -52.11 -27.02 12.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.852 1.205 . . . . 0.0 110.772 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -45.04 -27.65 0.59 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 116.959 -1.496 . . . . 0.0 112.653 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 4.59 123.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 168.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.19 -54.93 1.58 Allowed 'General case' 0 C--N 1.363 1.195 0 CA-C-O 116.691 -1.623 . . . . 0.0 112.473 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -142.83 94.74 2.67 Favored 'General case' 0 C--N 1.361 1.102 0 CA-C-N 122.663 2.483 . . . . 0.0 111.27 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.93 -170.68 2.23 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.62 1.554 . . . . 0.0 107.166 -165.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -158.96 93.78 1.18 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 121.085 1.766 . . . . 0.0 107.859 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 152.91 33.96 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.792 1.178 . . . . 0.0 110.783 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.89 173.82 7.94 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 119.386 0.994 . . . . 0.0 111.951 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.357 0.0 OUTLIER -33.67 -81.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -174.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.14 27.48 9.57 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -143.02 119.9 11.27 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.117 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pp -141.67 120.41 12.63 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.795 -1.574 . . . . 0.0 107.678 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 165.22 11.35 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 115.571 -2.157 . . . . 0.0 109.139 -173.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.17 73.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.261 0 CA-C-N 119.901 1.228 . . . . 0.0 113.006 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 113.51 12.55 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 121.831 2.105 . . . . 0.0 112.719 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.06 162.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 CA-C-N 120.605 1.548 . . . . 0.0 112.5 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -89.12 -17.91 28.28 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 116.539 -1.696 . . . . 0.0 111.374 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.36 76.37 0.01 OUTLIER 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.38 1.9 . . . . 0.0 109.263 169.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.4 p -100.97 61.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 104.478 -2.416 . . . . 0.0 104.478 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -130.9 99.65 4.99 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 118.604 -0.713 . . . . 0.0 109.447 -170.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.28 42.11 25.24 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -80.75 -13.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-O 117.266 -1.35 . . . . 0.0 108.289 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.99 56.91 6.49 Favored 'General case' 0 C--N 1.36 1.042 0 CA-C-N 120.861 1.664 . . . . 0.0 107.792 174.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -76.33 -42.98 43.15 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -25.53 39.47 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.208 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -43.13 7.76 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.195 169.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -13.93 62.64 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.108 -170.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -44.96 28.53 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 120.204 1.365 . . . . 0.0 112.414 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -88.56 -39.74 13.9 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 124.264 0.978 . . . . 0.0 110.303 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.82 -36.62 14.12 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.529 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.6 -45.46 5.2 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 119.289 0.95 . . . . 0.0 112.012 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.81 -150.26 0.44 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.713 -1.613 . . . . 0.0 106.818 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.24 58.5 0.58 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.061 1.755 . . . . 0.0 108.308 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 85.72 0.14 Allowed Glycine 0 C--N 1.355 1.617 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.0 175.03 4.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 119.304 1.552 . . . . 0.0 107.202 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.04 127.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.25 139.44 23.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 117.406 -1.283 . . . . 0.0 108.042 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -149.16 87.28 1.52 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.824 -176.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -27.62 115.85 0.04 OUTLIER Glycine 0 C--N 1.358 1.75 0 CA-C-O 116.012 -2.549 . . . . 0.0 112.852 -176.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 92.4 p 112.03 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.048 0 CA-C-N 119.149 1.474 . . . . 0.0 108.739 -165.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.7 171.63 38.35 Favored Glycine 0 C--N 1.352 1.455 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.6 t -148.19 151.53 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.0 179.36 4.01 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . 0.332 . . -159.71 127.03 4.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.165 -0.922 . . . . 0.0 109.269 175.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.63 152.87 13.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -168.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.76 71.32 0.79 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.23 -81.08 0.02 OUTLIER Glycine 0 C--N 1.354 1.56 0 CA-C-O 118.596 -1.114 . . . . 0.0 113.93 -168.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -126.28 34.0 4.92 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.029 0.914 . . . . 0.0 110.589 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.47 49.67 1.41 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -41.38 20.42 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.526 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.25 -48.4 80.1 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.508 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.52 -50.58 72.13 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.042 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -44.28 80.41 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.269 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.73 -39.48 65.31 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.962 1.255 . . . . 0.0 111.014 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 p -67.35 -62.02 1.63 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -53.89 -34.02 58.23 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.459 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.6 mtp -62.32 -47.42 84.32 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.574 1.988 . . . . 0.0 106.732 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.18 -48.98 44.66 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.15 -40.71 64.48 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.546 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -64.06 -48.66 75.36 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.571 1.078 . . . . 0.0 110.37 -173.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.0 -42.85 95.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.57 -33.7 73.08 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.581 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -75.18 -18.34 60.19 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.911 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.64 31.7 4.5 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.542 1.065 . . . . 0.0 110.285 -177.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.474 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.337 -175.042 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 33.6 mtt . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 115.838 -2.03 . . . . 0.0 112.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -54.53 -29.14 4.69 Favored Pre-proline 0 C--N 1.35 0.628 0 CA-C-N 124.021 3.1 . . . . 0.0 115.021 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 88.0 Cg_endo -86.82 -41.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.237 0 CA-C-N 125.202 2.894 . . . . 0.0 110.942 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.35 85.22 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.977 1.262 . . . . 0.0 109.204 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -59.33 2.95 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -174.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -48.08 -35.8 5.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 CA-C-N 120.654 1.57 . . . . 0.0 109.203 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -38.28 90.49 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.18 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.71 -21.15 3.72 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.452 -1.737 . . . . 0.0 115.26 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -133.4 -55.88 0.9 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.185 1.811 . . . . 0.0 109.343 177.39 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 -24.34 72.52 Favored Glycine 0 C--N 1.361 1.924 0 CA-C-O 117.399 -1.779 . . . . 0.0 112.889 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.99 11.15 71.25 Favored Glycine 0 C--N 1.358 1.759 0 CA-C-N 119.641 1.721 . . . . 0.0 111.778 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.4 74.32 9.98 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 101.705 -3.443 . . . . 0.0 101.705 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.58 -30.28 53.9 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 119.391 -0.923 . . . . 0.0 109.976 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.58 -18.66 0.46 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.827 -1.082 . . . . 0.0 113.816 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -35.89 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.4 -59.73 2.44 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -131.21 148.91 52.76 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.762 1.165 . . . . 0.0 112.311 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -152.18 135.43 15.87 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -120.07 69.85 0.86 Allowed 'General case' 0 C--N 1.357 0.893 0 CA-C-N 121.893 2.133 . . . . 0.0 107.067 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.06 146.62 49.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.368 -1.301 . . . . 0.0 110.699 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.36 172.39 12.33 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 119.689 1.131 . . . . 0.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -32.06 -68.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.7 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.9 p -130.97 41.83 3.31 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.11 121.55 6.31 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 115.73 -2.081 . . . . 0.0 108.68 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.362 3.4 pp -116.78 -179.99 3.85 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.042 2.201 . . . . 0.0 108.984 169.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.67 161.11 43.01 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.698 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG12 ' CD1' ' A' ' 23' ' ' PHE . 1.9 t -144.45 72.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-N 121.939 2.154 . . . . 0.0 109.073 -178.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -71.16 110.78 6.03 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.287 -1.34 . . . . 0.0 112.926 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -148.78 164.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 118.977 0.808 . . . . 0.0 112.754 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.04 -38.82 52.0 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.601 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.253 10.3 t70 -33.74 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 CA-C-O 116.819 -1.562 . . . . 0.0 113.798 -174.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.284 0.8 OUTLIER 43.36 13.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-N 122.08 2.218 . . . . 0.0 116.279 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 t -112.4 10.29 19.81 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 120.272 1.396 . . . . 0.0 111.686 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -172.77 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.855 -178.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' LYS . 2.1 p -30.0 136.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.154 170.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.89 64.46 8.65 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 16.9 mt-30 -65.04 -42.31 94.43 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -175.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -32.85 3.23 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.284 0.99 . . . . 0.0 111.995 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.67 -40.5 6.74 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.525 -1.153 . . . . 0.0 110.846 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -65.79 -19.6 65.95 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 120.202 2.001 . . . . 0.0 109.433 -173.577 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -46.24 57.82 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -91.05 -44.62 9.19 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -89.32 -30.47 18.41 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.453 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.27 -36.66 5.61 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.178 -1.346 . . . . 0.0 113.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . -125.22 -150.57 0.45 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.91 56.4 0.31 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 122.312 2.323 . . . . 0.0 110.142 173.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.08 76.84 0.05 OUTLIER Glycine 0 C--N 1.355 1.608 0 CA-C-O 117.522 -1.71 . . . . 0.0 109.099 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -112.69 173.17 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.964 0 CA-C-N 119.5 1.65 . . . . 0.0 108.234 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.45 137.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.1 131.22 61.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.91 84.82 1.85 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 116.714 -1.612 . . . . 0.0 108.562 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -25.0 108.78 0.01 OUTLIER Glycine 0 C--N 1.36 1.887 0 CA-C-O 115.97 -2.572 . . . . 0.0 111.968 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 70.3 m 123.59 -31.3 0.01 OUTLIER 'General case' 0 C--N 1.361 1.083 0 CA-C-N 118.854 1.327 . . . . 0.0 108.444 -165.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.44 166.31 39.02 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 117.761 -1.577 . . . . 0.0 109.984 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -144.97 128.64 11.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -102.18 153.02 20.34 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 113.963 -2.922 . . . . 0.0 106.942 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.98 96.53 3.02 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.475 2.398 . . . . 0.0 111.822 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -110.15 158.56 10.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.408 -1.282 . . . . 0.0 110.562 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.34 -59.44 1.89 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 124.86 1.35 . . . . 0.0 109.446 172.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.79 70.06 1.17 Allowed Glycine 0 C--N 1.359 1.837 0 CA-C-O 117.394 -1.781 . . . . 0.0 110.482 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 m 61.5 -60.44 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 118.651 1.225 . . . . 0.0 113.702 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 77' ' ' SER . 14.8 ptmm? -44.22 -19.37 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 CA-C-O 116.351 -1.785 . . . . 0.0 111.463 174.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' LYS . 1.4 t -27.98 -56.86 0.11 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-O 116.982 -1.485 . . . . 0.0 108.819 166.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.3 -51.39 45.57 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 120.004 1.275 . . . . 0.0 111.211 -173.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -51.12 -47.09 62.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.681 1.128 . . . . 0.0 110.336 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.75 -57.31 11.38 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -58.82 -33.58 70.56 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 120.895 -1.128 . . . . 0.0 109.881 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 p -68.41 -50.28 53.98 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -57.0 -35.55 69.35 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' ASP . 35.9 mtp -63.8 -53.32 52.6 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.442 178.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' MET . 19.0 t70 -41.72 -56.32 2.69 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -176.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.1 -54.2 39.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.848 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -51.12 -50.83 58.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.454 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.31 -45.8 92.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 120.578 1.535 . . . . 0.0 107.595 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -59.63 -32.99 70.94 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.926 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -75.35 -22.13 57.82 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.909 -1.043 . . . . 0.0 111.502 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -130.92 38.08 3.72 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 119.215 0.916 . . . . 0.0 109.484 -174.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.662 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -176.662 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 CA--C 1.506 -0.712 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -50.52 -42.4 75.14 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 115.857 -2.021 . . . . 0.0 110.338 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 6.5 Cg_endo -76.64 -38.12 1.06 Allowed 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 123.785 2.388 . . . . 0.0 113.193 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.95 -33.05 16.41 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -73.17 0.12 Allowed 'General case' 0 C--N 1.357 0.92 0 CA-C-O 115.237 -2.316 . . . . 0.0 106.953 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' GLY . 12.6 p -40.0 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.412 0 CA-C-N 122.335 2.334 . . . . 0.0 111.542 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.07 80.02 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.97 1.259 . . . . 0.0 111.719 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.5 33.35 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.672 1.124 . . . . 0.0 112.601 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.461 ' CD1' HG23 ' A' ' 49' ' ' VAL 0.317 2.6 t80 -116.06 13.23 15.8 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.128 0.893 . . . . 0.0 113.075 177.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -147.54 25.25 1.52 Allowed Glycine 0 C--N 1.358 1.756 0 CA-C-O 118.055 -1.414 . . . . 0.0 113.549 170.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.29 52.67 0.53 Allowed Glycine 0 C--N 1.354 1.573 0 N-CA-C 106.42 -2.672 . . . . 0.0 106.42 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -117.19 72.13 0.82 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 102.229 -3.248 . . . . 0.0 102.229 -176.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -34.73 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.628 1.104 . . . . 0.0 113.354 -175.152 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' LYS . 60.2 t30 -50.41 -15.93 0.3 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -10.53 142.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 171.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.18 -58.12 1.07 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 117.063 -1.446 . . . . 0.0 112.309 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.93 118.89 16.32 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 122.355 2.343 . . . . 0.0 109.859 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.33 -178.54 5.26 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.321 1.419 . . . . 0.0 108.033 -171.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.76 78.92 1.0 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.271 0.941 . . . . 0.0 108.823 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.97 152.56 44.3 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.123 -1.417 . . . . 0.0 111.44 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.36 177.11 2.29 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.78 1.173 . . . . 0.0 113.105 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -32.91 -65.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.105 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -171.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.465 ' HA ' ' CE1' ' A' ' 73' ' ' PHE . 70.3 m -134.78 35.32 3.13 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -142.4 116.5 9.43 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.293 3.9 pp -132.81 133.81 43.86 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.933 -1.508 . . . . 0.0 110.231 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.52 170.59 8.45 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.004 1.729 . . . . 0.0 110.322 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.18 86.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.6 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 t -93.55 101.67 13.85 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 116.222 -1.847 . . . . 0.0 111.13 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.3 166.54 17.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-N 119.833 1.197 . . . . 0.0 113.892 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.5 -4.13 58.67 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.203 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 61.31 0.28 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.472 1.942 . . . . 0.0 108.946 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.64 17.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 172.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -57.27 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.694 1.134 . . . . 0.0 111.387 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -108.16 10.06 28.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.162 174.417 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' A' ' 23' ' ' PHE . 7.4 p -33.85 138.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.921 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -98.72 49.85 0.97 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.897 1.226 . . . . 0.0 108.721 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -42.32 76.39 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.86 -33.22 48.84 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.733 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -42.47 8.69 Favored Glycine 0 C--N 1.353 1.509 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -26.53 68.13 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 119.34 1.57 . . . . 0.0 111.881 -167.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -43.79 84.08 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 119.856 1.207 . . . . 0.0 112.27 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -98.29 -7.2 29.5 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.809 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -116.54 -25.59 7.37 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.444 -1.741 . . . . 0.0 111.959 179.69 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.27 -48.54 0.7 Allowed Glycine 0 C--N 1.358 1.754 0 CA-C-N 123.464 2.847 . . . . 0.0 111.98 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.5 -153.37 0.51 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.83 46.46 1.87 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.237 1.835 . . . . 0.0 109.638 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 123.29 2.12 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.29 167.03 20.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 120.085 1.943 . . . . 0.0 106.978 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 m -133.69 140.71 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.0 t -115.44 119.35 61.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.58 113.49 16.16 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 115.916 -1.992 . . . . 0.0 107.154 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 67' ' ' SER . . . -47.27 116.24 2.51 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 123.101 2.682 . . . . 0.0 110.247 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 78.4 p 122.99 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.318 1.559 . . . . 0.0 108.963 -169.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 161.0 26.45 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.458 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -130.74 154.53 40.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -139.25 114.82 9.9 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 115.645 -2.122 . . . . 0.0 107.847 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.51 156.45 17.28 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.773 1.629 . . . . 0.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.65 140.52 19.04 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 113.811 -2.995 . . . . 0.0 106.76 -177.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CE1' ' HA ' ' A' ' 37' ' ' THR 0.335 11.5 p90 -125.62 37.86 4.28 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 123.425 2.83 . . . . 0.0 110.945 -177.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.29 56.67 0.47 Allowed Glycine 0 C--N 1.36 1.912 0 O-C-N 124.153 0.908 . . . . 0.0 111.538 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . 0.288 54.4 m -148.98 -43.18 0.15 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 124.778 0.928 . . . . 0.0 108.611 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 54.23 1.95 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.222 1.374 . . . . 0.0 109.365 165.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.7 p -51.25 -44.56 61.76 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.712 -1.868 . . . . 0.0 110.109 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.02 -41.75 99.61 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.052 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.12 -39.62 75.35 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.397 0.999 . . . . 0.0 109.227 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.49 -24.82 60.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.055 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -77.54 -37.44 50.83 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 173.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -55.37 -59.45 4.78 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.073 1.306 . . . . 0.0 109.569 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 57' ' ' LEU . 12.7 pt-20 -53.08 -32.64 48.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.001 -1.08 . . . . 0.0 112.36 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.0 mtp -71.1 -47.0 60.67 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -43.63 -50.02 7.5 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.9 -43.79 49.74 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.106 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -51.52 67.37 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.702 1.592 . . . . 0.0 111.543 -177.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mp -64.52 -43.5 96.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.72 -33.22 74.68 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.661 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -81.09 -18.48 46.4 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.039 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.17 39.15 3.7 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.206 0.912 . . . . 0.0 108.835 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.666 0 C-N-CA 119.895 -1.145 . . . . 0.0 110.583 -175.283 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptp . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.46 80.61 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 116.457 -1.735 . . . . 0.0 108.062 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -89.22 -19.78 1.48 Allowed 'Trans proline' 0 C--N 1.362 1.289 0 CA-C-N 123.308 2.217 . . . . 0.0 114.922 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.85 -31.85 5.49 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.897 2.135 . . . . 0.0 107.501 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -65.08 0.66 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.594 174.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -45.36 -37.92 2.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 CA-C-N 123.044 2.656 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.79 92.22 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.27 -21.06 3.09 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 115.768 -2.063 . . . . 0.0 115.831 -176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -130.37 -54.81 1.1 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.209 1.822 . . . . 0.0 110.473 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.3 78.62 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-O 118.504 -1.164 . . . . 0.0 111.603 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.54 4.73 83.99 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-O 117.599 -1.667 . . . . 0.0 113.228 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -74.0 81.46 1.71 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -34.9 50.57 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.333 -0.947 . . . . 0.0 111.033 -174.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -47.64 -29.66 3.14 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -23.05 155.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 119.851 3.278 . . . . 0.0 119.851 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.7 p -97.66 -63.73 1.1 Allowed 'General case' 0 C--N 1.362 1.135 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.896 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -147.88 121.6 9.25 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 120.58 1.536 . . . . 0.0 112.393 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.73 170.81 8.31 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 60.9 1.69 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.97 143.8 57.41 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.854 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -169.1 165.85 11.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 116.58 -1.676 . . . . 0.0 110.193 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.318 0.0 OUTLIER -10.1 -99.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.699 -1.62 . . . . 0.0 114.994 -177.743 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -101.97 17.14 23.92 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.562 1.983 . . . . 0.0 111.004 171.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 132.83 56.4 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.33 2.2 pp -141.3 167.17 22.82 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 175.138 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -152.5 161.55 42.43 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 113.783 -3.008 . . . . 0.0 107.211 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 t -137.78 60.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.151 0 CA-C-N 123.372 2.805 . . . . 0.0 112.377 -174.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.0 p -72.0 88.83 1.09 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.8 163.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.322 -174.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -92.12 -12.03 34.08 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.185 -1.388 . . . . 0.0 111.347 173.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.8 79.55 0.02 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.793 1.633 . . . . 0.0 107.122 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 12.2 p -103.54 41.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 174.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 t -84.64 72.57 10.68 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 118.844 -0.598 . . . . 0.0 109.808 -172.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.82 54.72 4.59 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 50' ' ' ASP 0.3 0.2 OUTLIER -87.39 61.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -171.853 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' VAL . 42.8 p30 15.62 57.86 0.01 OUTLIER 'General case' 0 C--N 1.362 1.146 0 C-N-CA 123.643 0.777 . . . . 0.0 112.489 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -76.95 -41.3 43.78 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.7 23.72 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.998 173.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.6 -36.54 7.9 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 118.032 -1.427 . . . . 0.0 111.335 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -11.79 60.31 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.731 1.765 . . . . 0.0 111.907 -172.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.5 -32.76 28.59 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 119.582 1.083 . . . . 0.0 113.289 177.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -100.14 -17.58 17.34 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.984 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.17 -26.91 8.57 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.367 0.985 . . . . 0.0 112.651 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.16 -41.84 2.73 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-N 120.881 1.673 . . . . 0.0 111.955 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.23 -150.54 0.45 Allowed 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -147.41 44.52 1.13 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 121.572 1.987 . . . . 0.0 108.102 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.19 107.94 1.11 Allowed Glycine 0 C--N 1.353 1.488 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -172.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.9 m -129.93 172.29 16.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.96 127.24 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.5 t -103.19 124.9 57.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -173.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -136.48 82.52 1.95 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.437 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -22.11 110.37 0.01 OUTLIER Glycine 0 C--N 1.359 1.829 0 CA-C-O 116.46 -2.3 . . . . 0.0 113.214 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 46.1 t 119.81 -33.3 0.01 OUTLIER 'General case' 0 C--N 1.359 1.008 0 CA-C-N 118.944 1.372 . . . . 0.0 107.864 -167.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.35 158.02 30.76 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-O 117.849 -1.528 . . . . 0.0 110.269 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.4 t -138.02 152.97 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.842 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 145.8 49.15 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 113.937 -2.935 . . . . 0.0 108.102 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -140.91 117.71 11.03 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 122.21 2.277 . . . . 0.0 111.825 -170.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.69 123.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-O 116.073 -1.918 . . . . 0.0 106.718 -168.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.264 0.0 OUTLIER -93.47 -11.98 30.8 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 121.212 1.824 . . . . 0.0 108.992 176.811 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.56 -163.41 7.73 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 121.061 1.755 . . . . 0.0 111.14 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 t -62.79 -29.38 70.67 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 118.913 -1.115 . . . . 0.0 110.017 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -54.31 -20.29 6.91 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.51 -1.71 . . . . 0.0 111.013 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.2 p -29.75 -41.51 0.03 OUTLIER 'General case' 0 C--N 1.361 1.106 0 CA-C-N 120.976 1.716 . . . . 0.0 115.5 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.65 -44.44 96.97 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.349 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -65.06 -34.18 77.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.797 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.8 -50.75 12.74 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -48.32 -46.91 37.01 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.497 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -49.09 -41.09 34.52 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.299 1.409 . . . . 0.0 111.076 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.21 -40.2 93.85 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.4 mtp -64.16 -50.66 67.3 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.928 0.785 . . . . 0.0 109.155 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -40.36 -43.45 1.76 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.718 0.69 . . . . 0.0 109.47 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.72 82.59 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.524 -1.227 . . . . 0.0 110.63 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -52.89 -50.54 63.68 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.869 1.668 . . . . 0.0 111.637 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 mp -70.97 -45.58 72.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -170.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -62.42 -32.77 73.66 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.066 177.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -77.65 -25.58 49.76 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.6 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.87 38.98 4.08 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.725 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -179.184 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.0 mtt . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 87' ' ' TYR . . . -48.62 -42.83 59.53 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 115.429 -2.224 . . . . 0.0 113.371 176.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.09 -18.89 30.52 Favored 'Trans proline' 0 C--N 1.352 0.757 0 CA-C-N 123.961 2.45 . . . . 0.0 112.689 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.62 -5.86 28.3 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.29 170.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -75.19 -68.5 0.55 Allowed 'General case' 0 C--N 1.36 1.046 0 N-CA-C 103.586 -2.746 . . . . 0.0 103.586 -173.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -38.31 -36.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.159 0 CA-C-N 121.348 1.886 . . . . 0.0 112.403 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.25 93.4 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.187 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -48.15 -19.7 0.3 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CB ' HD13 ' A' ' 54' ' ' LEU . 2.0 t80 -140.14 -53.86 0.52 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.683 1.583 . . . . 0.0 109.788 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.76 -28.33 73.53 Favored Glycine 0 C--N 1.358 1.795 0 CA-C-O 117.915 -1.492 . . . . 0.0 112.762 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.23 5.39 84.41 Favored Glycine 0 C--N 1.357 1.703 0 CA-C-N 119.448 1.624 . . . . 0.0 112.721 175.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -88.02 75.01 8.81 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 102.701 -3.074 . . . . 0.0 102.701 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.07 -29.49 60.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.091 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -44.91 -27.76 0.57 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.928 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -32.05 135.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -75.32 -42.58 54.15 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.806 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -134.74 140.7 46.14 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.78 1.173 . . . . 0.0 111.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.96 129.04 11.81 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 115.771 -2.062 . . . . 0.0 106.588 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -111.92 65.74 0.63 Allowed 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.158 2.254 . . . . 0.0 109.267 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 144.45 48.79 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.792 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -163.91 170.16 17.12 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.769 1.168 . . . . 0.0 111.28 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.268 0.1 OUTLIER -25.03 -63.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 t -137.36 31.59 2.6 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.805 1.184 . . . . 0.0 108.648 177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.17 122.03 11.28 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 116.896 -1.526 . . . . 0.0 108.636 -173.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.357 3.2 pp -121.7 173.04 7.7 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.059 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -154.27 159.26 41.2 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 115.304 -2.284 . . . . 0.0 106.172 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 t -148.92 69.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 122.168 2.258 . . . . 0.0 109.32 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -78.7 95.42 5.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.496 -1.24 . . . . 0.0 113.511 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 m -148.9 175.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.216 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -173.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.97 2.29 25.07 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 116.264 -1.826 . . . . 0.0 113.41 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.99 59.98 0.52 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 122.393 2.36 . . . . 0.0 110.218 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.28 0.2 OUTLIER -103.41 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.492 174.867 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -36.25 -44.13 0.39 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.5 1.5 . . . . 0.0 112.911 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 26.58 0.74 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 23' ' ' PHE . 13.1 p -63.04 149.8 9.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.468 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.74 65.7 1.57 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -70.71 -46.77 62.49 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.74 -34.59 3.71 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.11 0.881 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.68 -42.42 7.29 Favored Glycine 0 C--N 1.354 1.57 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -66.02 -9.58 31.81 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.571 1.685 . . . . 0.0 113.108 -174.455 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.5 ' CB ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -91.06 -44.86 9.03 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.641 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -88.92 -14.62 36.3 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.41 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.3 -36.87 4.53 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.956 1.253 . . . . 0.0 112.97 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.94 -51.01 3.51 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.81 -160.0 0.7 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-O 117.548 -1.215 . . . . 0.0 107.762 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.88 37.79 4.22 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.934 1.243 . . . . 0.0 109.286 -176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.59 120.42 2.14 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 107.581 -2.208 . . . . 0.0 107.581 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.5 HG13 ' CB ' ' A' ' 55' ' ' LYS . 2.7 m -131.43 174.87 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.14 140.62 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 t -114.84 130.4 69.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.45 87.55 2.02 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 116.893 -1.527 . . . . 0.0 108.214 -174.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -26.4 107.65 0.01 OUTLIER Glycine 0 C--N 1.359 1.816 0 CA-C-O 116.532 -2.26 . . . . 0.0 112.329 -176.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 56.4 p 127.07 -33.59 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 CA-C-N 118.634 1.217 . . . . 0.0 107.962 -166.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.94 174.32 45.26 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.99 144.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.22 143.18 50.76 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 114.15 -2.834 . . . . 0.0 107.833 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -128.92 144.16 51.1 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.211 1.823 . . . . 0.0 109.808 -175.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . 0.277 1.0 OUTLIER -139.33 118.61 13.21 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-O 117.033 -1.46 . . . . 0.0 107.674 -172.59 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -110.9 42.94 1.52 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' LYS . . . -85.17 -166.71 42.23 Favored Glycine 0 C--N 1.359 1.821 0 CA-C-O 117.224 -1.876 . . . . 0.0 109.752 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p 53.62 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.359 0.985 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.7 ptpp? -105.1 54.75 0.7 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 104.398 -2.445 . . . . 0.0 104.398 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.5 t -75.83 -50.78 14.15 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.26 -38.29 73.65 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -66.36 -47.0 74.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.891 0.769 . . . . 0.0 110.075 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.31 -49.17 58.28 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -55.25 -37.68 67.53 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.315 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.44 -46.68 86.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.887 1.221 . . . . 0.0 107.777 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.431 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 72.5 mm-40 -59.05 -41.48 87.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.402 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 49.2 mtp -56.69 -48.35 77.87 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.822 1.192 . . . . 0.0 109.335 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -54.06 -45.98 71.82 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.45 -39.88 48.96 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.642 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 4.9 m-30 -64.63 -47.44 78.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.464 1.029 . . . . 0.0 112.378 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.29 -37.58 80.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -67.44 -31.75 72.15 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.524 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 . . . . . 0 C--N 1.352 0.711 0 CA-C-O 117.523 -1.227 . . . . 0.0 111.699 175.71 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.86 -44.19 77.32 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-O 115.391 -2.242 . . . . 0.0 111.228 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 57.9 Cg_endo -71.55 -40.23 3.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 124.404 2.609 . . . . 0.0 112.942 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.39 -31.35 72.41 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.378 0.99 . . . . 0.0 109.281 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.5 tm? -77.91 -67.24 0.75 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-O 115.45 -2.214 . . . . 0.0 105.255 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG11 ' CD2' ' A' ' 87' ' ' TYR . 7.3 p -40.58 -34.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 122.426 2.375 . . . . 0.0 111.081 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.97 79.34 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.111 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.03 -16.66 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.406 ' CB ' HD13 ' A' ' 54' ' ' LEU . 2.5 t80 -142.28 -52.78 0.41 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.706 1.594 . . . . 0.0 109.674 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.57 -20.06 67.56 Favored Glycine 0 C--N 1.358 1.774 0 CA-C-O 117.128 -1.929 . . . . 0.0 113.687 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.38 18.32 51.46 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 120.09 1.945 . . . . 0.0 111.53 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -95.18 55.97 1.85 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 104.354 -2.462 . . . . 0.0 104.354 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.81 -25.9 5.04 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.422 1.01 . . . . 0.0 112.029 -169.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -51.1 -16.55 0.48 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.0 152.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -64.11 -56.05 17.6 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 116.455 -1.735 . . . . 0.0 112.397 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -135.51 142.48 45.45 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-N 121.924 2.147 . . . . 0.0 112.004 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.6 148.99 45.88 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 173.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.59 55.44 1.53 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 120.526 1.512 . . . . 0.0 107.441 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 138.2 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.638 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ILE . 3.9 t -163.22 163.89 25.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.46 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.308 0.8 OUTLIER -4.18 -94.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -179.507 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -116.84 29.49 7.9 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -137.83 127.51 25.23 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.324 3.7 pp -130.54 176.52 8.1 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -157.37 156.68 32.71 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.007 -1.949 . . . . 0.0 106.137 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.25 75.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 120.286 1.403 . . . . 0.0 107.841 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -72.63 111.64 7.96 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.115 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -164.58 151.85 2.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.36 -174.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.87 74.36 1.12 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.16 48.9 2.3 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.949 -2.612 . . . . 0.0 103.949 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.28 2.86 2.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.335 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.8 t -48.81 -33.55 10.67 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.824 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -164.59 -64.8 0.04 OUTLIER 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.925 -1.512 . . . . 0.0 110.743 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS 0.321 9.0 p 42.63 177.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.065 0 O-C-N 124.48 1.113 . . . . 0.0 113.421 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.6 50.85 2.17 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.33 -45.86 68.45 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.59 -34.72 0.39 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.63 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 -48.51 3.15 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 119.119 -0.823 . . . . 0.0 111.192 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.406 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -55.03 -24.28 23.88 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -177.073 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -32.81 62.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 116.045 1.868 . . . . 0.0 116.045 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.65 -40.86 5.86 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 124.247 0.967 . . . . 0.0 109.968 176.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.67 -55.06 9.59 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.51 -49.76 5.03 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-O 119.173 -0.793 . . . . 0.0 111.607 -171.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.56 -166.0 1.05 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.5 37.51 2.91 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.71 1.141 . . . . 0.0 108.344 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.68 98.59 0.36 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -173.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -120.93 161.57 20.65 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.57 151.03 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.07 94.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -109.77 87.11 2.43 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.807 -1.568 . . . . 0.0 108.717 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -23.74 104.5 0.01 OUTLIER Glycine 0 C--N 1.36 1.888 0 CA-C-O 116.567 -2.241 . . . . 0.0 112.701 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 m 130.74 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.043 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -167.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.24 158.97 31.11 Favored Glycine 0 C--N 1.355 1.607 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.7 t -135.74 133.77 51.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -112.82 149.4 33.12 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 112.873 -3.441 . . . . 0.0 107.036 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -138.72 125.49 20.94 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 123.27 2.759 . . . . 0.0 112.276 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -131.09 126.58 59.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-N 121.679 2.036 . . . . 0.0 108.666 -171.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.302 0.0 OUTLIER -96.86 -7.99 32.08 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.875 178.264 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 -159.63 27.66 Favored Glycine 0 C--N 1.359 1.855 0 CA-C-N 120.395 1.452 . . . . 0.0 109.769 169.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.0 t -63.89 -30.92 71.96 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.667 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -51.43 -26.49 8.15 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.466 1.03 . . . . 0.0 110.782 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -37.72 -34.08 0.09 Allowed 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 116.289 -1.815 . . . . 0.0 115.144 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -62.6 -47.34 84.22 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 122.301 2.319 . . . . 0.0 108.499 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -69.18 -38.54 78.75 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.888 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.17 -38.81 60.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -36.77 64.43 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.251 -1.531 . . . . 0.0 110.076 172.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -60.36 -48.01 83.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.167 1.349 . . . . 0.0 109.718 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 120.07 1.305 . . . . 0.0 109.347 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 39.2 mtm -67.59 -40.95 84.8 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -48.69 -53.83 17.25 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -54.14 -48.47 70.8 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.102 -1.427 . . . . 0.0 109.657 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -44.88 -59.62 2.46 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 120.316 1.416 . . . . 0.0 111.557 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.5 -43.96 97.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.207 -173.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -64.12 -29.34 70.47 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.24 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 C--N 1.354 0.781 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.938 177.638 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 116.872 -1.537 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -44.91 -48.02 29.8 Favored Pre-proline 0 C--N 1.356 0.861 0 CA-C-O 116.192 -1.861 . . . . 0.0 112.299 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 50.4 Cg_endo -69.65 -39.78 6.29 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.947 2.445 . . . . 0.0 112.077 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -30.51 71.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.264 0.938 . . . . 0.0 109.643 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -76.76 -66.08 0.86 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 -173.514 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -44.39 -36.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 CA-C-N 121.41 1.914 . . . . 0.0 109.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -40.73 91.25 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.878 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -45.96 -27.44 0.9 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.785 -1.579 . . . . 0.0 115.2 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.498 ' CZ ' ' NE2' ' A' ' 51' ' ' GLN . 0.9 OUTLIER -128.66 -52.84 1.25 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 120.063 1.301 . . . . 0.0 110.526 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.22 -18.23 76.5 Favored Glycine 0 C--N 1.358 1.752 0 CA-C-O 117.617 -1.657 . . . . 0.0 113.716 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.04 14.68 62.42 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 119.705 1.752 . . . . 0.0 111.451 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -87.76 74.43 9.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 104.27 -2.493 . . . . 0.0 104.27 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -36.26 18.61 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.888 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -43.19 -31.99 0.68 Allowed 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -20.67 159.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 121.8 4.0 . . . . 0.0 121.8 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.94 -56.5 2.23 Favored 'General case' 0 C--N 1.364 1.211 0 CA-C-O 116.62 -1.657 . . . . 0.0 111.999 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.42 128.12 10.86 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 123.697 2.953 . . . . 0.0 113.486 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.66 168.93 10.55 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 120.182 1.356 . . . . 0.0 108.04 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.62 77.99 1.72 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 150.67 48.26 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.386 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -169.02 177.2 5.01 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.541 1.064 . . . . 0.0 112.063 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.327 0.0 OUTLIER -30.43 -71.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -174.365 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -125.71 32.68 5.25 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -137.78 135.08 35.99 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.874 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 3.8 pp -147.63 119.23 7.97 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 115.747 -2.073 . . . . 0.0 107.514 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -100.43 168.84 9.49 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 122.848 2.567 . . . . 0.0 109.168 -175.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.457 ' HB ' ' CZ ' ' A' ' 23' ' ' PHE . 1.3 t -142.01 69.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.988 0 CA-C-N 119.535 1.061 . . . . 0.0 112.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -69.83 108.64 4.04 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.482 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.77 164.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 CA-C-N 119.977 1.262 . . . . 0.0 113.373 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -101.94 -13.35 17.64 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.239 -1.839 . . . . 0.0 112.565 172.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.15 76.03 0.01 OUTLIER 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.819 2.099 . . . . 0.0 109.114 169.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.6 p -109.17 35.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -70.42 -62.7 1.29 Allowed 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.35 13.01 2.38 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.502 -1.237 . . . . 0.0 114.035 173.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.25 132.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.476 1.489 . . . . 0.0 111.218 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -86.86 71.4 10.31 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 23' ' ' PHE . 66.4 mt-30 -79.56 -39.78 30.99 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.78 -29.83 8.51 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.611 . . . . 0.0 110.757 175.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 -39.54 8.09 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.751 -1.027 . . . . 0.0 111.035 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -68.1 -18.55 64.68 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 117.03 -1.462 . . . . 0.0 112.163 -173.55 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -80.24 -32.23 38.4 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 119.686 1.13 . . . . 0.0 113.121 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.17 -18.68 16.8 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 117.595 -1.193 . . . . 0.0 112.035 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.47 -34.78 6.42 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.839 1.199 . . . . 0.0 111.937 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.19 -49.05 2.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 120.74 1.609 . . . . 0.0 110.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.19 -162.17 0.89 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.08 56.23 0.89 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 121.173 1.806 . . . . 0.0 109.774 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.2 73.87 0.03 OUTLIER Glycine 0 C--N 1.351 1.376 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 55' ' ' LYS . 2.3 m -111.02 169.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 118.83 1.315 . . . . 0.0 108.626 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.59 135.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.21 127.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.81 93.11 2.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.561 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -30.31 112.11 0.04 OUTLIER Glycine 0 C--N 1.358 1.756 0 CA-C-O 115.71 -2.717 . . . . 0.0 111.782 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 74.6 m 120.82 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.12 1.46 . . . . 0.0 108.837 -167.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.42 162.86 32.48 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.041 -1.422 . . . . 0.0 110.575 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.2 t -136.41 117.15 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.847 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -85.88 158.06 20.03 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.309 . . -150.31 127.21 11.08 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.294 -1.336 . . . . 0.0 109.11 178.151 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -147.37 151.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-N 119.963 1.256 . . . . 0.0 108.594 -169.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -124.15 70.59 1.1 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -33.22 -95.79 0.01 OUTLIER Glycine 0 C--N 1.362 2.015 0 O-C-N 125.246 1.591 . . . . 0.0 114.242 -168.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -101.37 -26.04 13.74 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.643 1.221 . . . . 0.0 111.651 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -64.78 -4.65 4.57 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 120.483 1.492 . . . . 0.0 113.022 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -32.98 -39.91 0.05 OUTLIER 'General case' 0 C--N 1.351 0.649 0 CA-C-N 121.216 1.825 . . . . 0.0 113.989 166.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.35 -50.66 72.24 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 120.741 1.61 . . . . 0.0 109.381 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -61.69 -41.81 98.08 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 119.045 -0.503 . . . . 0.0 112.025 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.56 -47.66 31.41 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.133 -174.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -48.03 -36.43 12.86 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.81 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -61.96 -46.83 87.54 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.908 1.685 . . . . 0.0 109.14 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.71 -40.89 96.64 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.6 mtt -66.53 -36.33 82.43 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.64 -44.91 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.94 -50.13 71.6 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.588 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.74 -61.44 1.25 Allowed 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.761 1.619 . . . . 0.0 111.209 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.1 -44.07 98.56 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.855 -173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -60.78 -31.64 70.99 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.389 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--N 1.352 0.702 0 CA-C-O 117.701 -1.143 . . . . 0.0 111.448 178.022 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.65 -41.34 89.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 115.738 -2.077 . . . . 0.0 111.752 174.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.45 -34.58 9.36 Favored 'Trans proline' 0 C--N 1.353 0.804 0 CA-C-N 123.798 2.392 . . . . 0.0 111.486 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -31.12 71.11 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.474 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -64.94 -67.15 0.46 Allowed 'General case' 0 C--N 1.356 0.88 0 CA-C-O 115.305 -2.283 . . . . 0.0 105.86 -177.254 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -42.05 -37.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.339 0 CA-C-N 122.107 2.23 . . . . 0.0 111.36 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.48 91.29 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.105 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.91 -13.83 0.12 Allowed 'General case' 0 C--N 1.359 0.978 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CD1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -145.85 -48.17 0.21 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-N 121.602 2.001 . . . . 0.0 111.503 177.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.31 -26.3 74.4 Favored Glycine 0 C--N 1.359 1.828 0 CA-C-O 117.552 -1.694 . . . . 0.0 112.567 170.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.5 0.63 68.28 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 119.624 1.712 . . . . 0.0 112.444 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -71.53 85.95 0.87 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 172.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.09 78.6 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.052 0.842 . . . . 0.0 110.091 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -42.92 -29.62 0.34 Allowed 'General case' 0 C--N 1.358 0.962 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -13.98 155.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.695 1 N-CA-C 122.33 4.196 . . . . 0.0 122.33 174.093 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -54.45 2.52 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 117.056 -1.45 . . . . 0.0 111.271 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -151.38 109.09 3.65 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 121.959 2.163 . . . . 0.0 112.669 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.02 162.38 15.95 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.661 1.118 . . . . 0.0 108.084 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.75 68.0 1.44 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.34 146.26 48.73 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.394 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.97 166.43 21.61 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.674 1.124 . . . . 0.0 111.427 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.276 0.1 OUTLIER -24.99 -66.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -173.208 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 p -133.85 35.57 3.33 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -154.26 111.0 3.33 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.932 -1.509 . . . . 0.0 109.035 -170.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.373 3.2 pp -115.34 -178.41 3.37 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.778 1.172 . . . . 0.0 108.398 178.045 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -158.87 155.44 27.77 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 114.834 -2.507 . . . . 0.0 106.995 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.58 64.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 121.898 2.135 . . . . 0.0 111.245 -171.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -69.1 98.06 0.95 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 117.373 -1.299 . . . . 0.0 112.003 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.4 170.82 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.141 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.089 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.92 4.27 15.74 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 116.356 -1.783 . . . . 0.0 112.996 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.46 58.94 0.78 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.555 2.434 . . . . 0.0 109.601 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -93.13 -4.52 10.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.093 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.2 t -31.72 -51.75 0.22 Allowed 'General case' 0 C--N 1.362 1.115 0 CA-C-N 119.989 1.268 . . . . 0.0 112.974 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 26.01 0.78 Allowed 'General case' 0 C--N 1.354 0.768 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 23' ' ' PHE . 13.4 p -57.19 152.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.946 -174.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -102.89 64.21 0.85 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -70.44 -45.1 66.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -33.82 1.76 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.053 0.846 . . . . 0.0 110.726 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -49.23 5.2 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.03 -15.01 41.35 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.3 1.55 . . . . 0.0 112.452 -170.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -45.2 17.99 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -88.8 -35.33 16.69 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.717 1.261 . . . . 0.0 110.674 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.5 tm? -89.1 -44.57 10.24 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.388 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.47 -56.25 3.03 Favored Glycine 0 C--N 1.351 1.391 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.48 -151.69 0.45 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.61 40.54 2.2 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.295 1.407 . . . . 0.0 109.77 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.02 107.92 0.86 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.276 -1.847 . . . . 0.0 109.041 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.71 171.86 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-N 119.464 1.632 . . . . 0.0 106.631 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.17 134.39 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.71 127.22 62.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -138.84 90.69 2.46 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.87 -1.538 . . . . 0.0 107.993 -176.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -29.0 112.46 0.03 OUTLIER Glycine 0 C--N 1.358 1.802 0 CA-C-O 116.094 -2.503 . . . . 0.0 111.858 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 36.4 t 117.35 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.012 1.406 . . . . 0.0 109.508 -167.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.24 163.31 31.31 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.817 -1.546 . . . . 0.0 110.848 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -138.68 135.2 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -108.57 152.39 24.83 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 114.025 -2.893 . . . . 0.0 107.085 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -142.09 126.51 17.72 Favored 'General case' 0 C--N 1.363 1.182 0 CA-C-N 122.229 2.286 . . . . 0.0 112.001 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.3 125.47 67.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.303 1.865 . . . . 0.0 109.378 -169.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CE1' HD23 ' A' ' 39' ' ' LEU . 1.1 p90 -116.04 50.04 1.06 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.76 165.93 19.14 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 m 82.74 -42.66 0.12 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.947 1.373 . . . . 0.0 109.66 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.78 55.25 1.0 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.039 1.29 . . . . 0.0 110.579 174.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -55.08 22.86 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.72 -41.1 69.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.273 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -61.12 -44.52 97.22 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.862 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -67.44 0.44 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -31.74 0.51 Allowed 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.255 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -64.4 -69.37 0.29 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.766 1.166 . . . . 0.0 109.43 174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.4 -34.58 58.27 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 118.984 0.811 . . . . 0.0 110.657 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.456 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 42.6 mtp -63.24 -45.89 89.5 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.514 1.052 . . . . 0.0 108.9 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -48.2 -47.07 35.7 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.68 -42.82 93.8 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.696 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 84' ' ' MET . 6.0 m-30 -56.34 -49.78 73.38 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.54 1.063 . . . . 0.0 110.239 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.66 -42.1 94.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -64.7 -28.46 69.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.494 0.588 . . . . 0.0 111.233 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.0 t30 . . . . . 0 C--N 1.353 0.747 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.181 175.508 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 C--O 1.217 -0.655 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -55.75 -41.75 92.53 Favored Pre-proline 0 C--N 1.354 0.783 0 CA-C-N 122.224 2.284 . . . . 0.0 111.022 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 11.5 Cg_endo -70.82 -50.28 0.36 Allowed 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-N 123.726 2.366 . . . . 0.0 111.75 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.58 86.43 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.561 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -67.15 0.5 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -175.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.46 -33.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.092 0 CA-C-N 120.873 1.669 . . . . 0.0 110.774 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.35 92.64 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 120.126 -0.629 . . . . 0.0 111.146 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.77 -22.47 2.15 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -132.29 -49.15 0.92 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.969 1.713 . . . . 0.0 110.901 176.12 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.97 -20.47 78.9 Favored Glycine 0 C--N 1.359 1.84 0 CA-C-O 117.55 -1.695 . . . . 0.0 113.113 173.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.41 13.54 66.99 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 119.751 1.776 . . . . 0.0 111.54 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.31 57.42 1.22 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 102.859 -3.015 . . . . 0.0 102.859 173.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.02 -23.91 15.15 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.097 -174.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -55.93 -9.47 0.59 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.79 153.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.8 p -70.61 -50.7 34.28 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-O 116.501 -1.714 . . . . 0.0 111.445 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -135.27 146.6 48.71 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 121.931 2.15 . . . . 0.0 113.071 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.15 164.2 19.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.06 70.64 1.2 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.76 153.19 37.15 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.014 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -168.09 -178.92 3.88 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.621 0.646 . . . . 0.0 111.273 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -36.46 -54.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -144.21 42.69 1.41 Allowed 'General case' 0 C--N 1.35 0.598 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -138.94 142.4 38.44 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.672 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.8 OUTLIER -149.42 122.92 9.1 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 114.249 -2.786 . . . . 0.0 108.89 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.94 151.89 46.36 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 120.646 1.566 . . . . 0.0 108.914 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.56 90.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 -175.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.52 122.3 33.23 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 120.179 1.354 . . . . 0.0 109.674 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -158.35 165.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 119.421 1.01 . . . . 0.0 109.556 -166.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.77 -56.75 18.14 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.157 -1.402 . . . . 0.0 110.815 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -21.12 -101.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.153 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER 49.05 17.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.04 0 CA-C-N 122.722 2.51 . . . . 0.0 113.557 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 t -138.92 -76.64 0.36 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.205 0.911 . . . . 0.0 108.862 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -21.15 62.9 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.468 1.031 . . . . 0.0 111.411 175.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' A' ' 23' ' ' PHE . 12.1 p -51.11 150.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.894 -175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -98.2 50.52 1.01 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 118.507 0.594 . . . . 0.0 110.774 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.509 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 6.4 mt-30 -64.92 -38.62 91.58 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -37.22 -38.79 0.23 Allowed 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.629 -0.701 . . . . 0.0 112.089 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -41.73 6.02 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 118.581 -1.122 . . . . 0.0 111.241 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -64.0 -18.66 64.52 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.66 1.73 . . . . 0.0 111.658 -174.574 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -39.25 34.9 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -8.77 21.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.416 -1.278 . . . . 0.0 112.634 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.52 -38.02 5.05 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.283 1.401 . . . . 0.0 111.484 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.95 -67.43 1.17 Allowed Glycine 0 C--N 1.356 1.675 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.42 -165.19 1.23 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -142.8 63.12 1.39 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.158 1.345 . . . . 0.0 107.981 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.7 93.94 0.88 Allowed Glycine 0 C--N 1.351 1.371 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.07 169.78 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 119.261 1.531 . . . . 0.0 108.571 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -133.45 145.04 34.37 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.29 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 -177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.31 97.42 3.29 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 116.489 -1.719 . . . . 0.0 107.956 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.38 112.05 0.06 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 116.205 -2.442 . . . . 0.0 111.491 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 71.2 m 114.54 -16.36 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-N 119.203 1.501 . . . . 0.0 109.803 -167.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.63 174.74 45.12 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 120.938 1.699 . . . . 0.0 111.503 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -152.99 108.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 118.622 1.211 . . . . 0.0 107.982 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.69 147.49 24.49 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-O 116.611 -1.661 . . . . 0.0 107.591 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.257 . . -132.12 146.26 51.92 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.77 149.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-O 115.481 -2.199 . . . . 0.0 107.547 -169.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 60' ' ' ALA 0.253 4.5 p90 -138.23 48.87 1.95 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.598 1.999 . . . . 0.0 113.014 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.91 13.25 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-O 118.337 -1.257 . . . . 0.0 110.958 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.445 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 35.2 p -74.04 90.43 1.99 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.787 1.294 . . . . 0.0 108.604 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 84.98 30.78 0.05 OUTLIER 'General case' 0 C--N 1.358 0.957 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.125 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -56.14 1.55 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -53.65 -43.32 68.68 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.387 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 118.921 0.782 . . . . 0.0 111.413 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 3.6 mm? -69.29 -46.47 67.12 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -177.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -58.16 -31.51 67.31 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.589 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -62.86 -44.51 95.93 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.685 1.129 . . . . 0.0 108.726 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.46 -39.02 89.35 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.397 0.999 . . . . 0.0 108.972 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.59 -42.26 87.24 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.159 0.891 . . . . 0.0 108.813 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -50.09 -53.23 28.68 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -48.13 -49.28 32.7 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.054 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -46.63 -62.97 1.14 Allowed 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.709 1.14 . . . . 0.0 110.284 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.56 -45.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.608 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -62.27 -31.67 72.29 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.217 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 C--N 1.353 0.748 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.08 177.496 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 77.4 mtp . . . . . 0 CA--C 1.509 -0.632 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB1' ' CE1' ' A' ' 87' ' ' TYR . . . -54.43 -41.61 90.09 Favored Pre-proline 0 C--N 1.352 0.701 0 CA-C-O 116.025 -1.941 . . . . 0.0 111.436 177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 38.9 Cg_endo -72.93 -30.21 11.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 CA-C-N 124.779 2.742 . . . . 0.0 112.239 172.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.33 71.23 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.415 1.461 . . . . 0.0 108.977 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.07 -66.57 0.48 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.23 -1.843 . . . . 0.0 109.008 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.3 p -46.19 -36.61 2.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 122.093 2.224 . . . . 0.0 110.118 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.03 86.0 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 119.204 -0.998 . . . . 0.0 111.481 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -22.4 31.14 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -133.35 -46.02 0.83 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.934 1.697 . . . . 0.0 110.366 175.184 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.94 -22.65 78.71 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 117.436 -1.758 . . . . 0.0 113.907 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.14 9.79 72.18 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-N 120.191 1.996 . . . . 0.0 112.275 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -82.16 79.22 8.71 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -34.34 67.99 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.062 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -45.17 -28.52 0.77 Allowed 'General case' 0 C--N 1.357 0.907 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -12.94 151.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 121.517 3.895 . . . . 0.0 121.517 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 p -104.03 -61.77 1.4 Allowed 'General case' 0 C--N 1.364 1.217 0 CA-C-O 118.232 -0.889 . . . . 0.0 111.478 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -143.39 104.5 4.25 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.5 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.71 163.7 13.03 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 119.895 1.225 . . . . 0.0 109.046 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.26 69.08 1.48 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 144.67 56.93 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.931 -1.509 . . . . 0.0 110.88 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -163.34 169.11 19.52 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 120.347 1.43 . . . . 0.0 112.292 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.293 0.0 OUTLIER -26.19 -69.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -174.216 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -131.2 35.49 3.9 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -150.51 102.9 3.08 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 117.724 -1.131 . . . . 0.0 108.762 -173.336 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.597 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 4.3 pp -120.2 142.28 49.14 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 115.146 -2.359 . . . . 0.0 107.244 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -123.13 167.54 13.56 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 114.86 -2.495 . . . . 0.0 109.087 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.42 57.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.244 0 CA-C-N 121.647 2.021 . . . . 0.0 115.259 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -71.89 88.69 1.05 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.97 152.72 15.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.993 -174.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.01 -6.95 59.69 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.499 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.98 68.34 0.16 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.058 1.754 . . . . 0.0 108.379 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.89 30.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.049 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 t -72.77 -85.02 0.03 OUTLIER 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.659 -1.162 . . . . 0.0 109.895 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.89 5.06 49.43 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.899 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 23' ' ' PHE . 12.3 p -40.91 141.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.781 -171.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.2 p30 -95.19 53.17 1.5 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.8 1.182 . . . . 0.0 108.275 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 22.0 mt-30 -63.37 -44.99 93.19 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.03 -32.47 1.69 Allowed 'General case' 0 C--N 1.348 0.527 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.426 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.35 -44.2 4.41 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-O 118.412 -1.215 . . . . 0.0 111.757 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -60.61 -24.1 65.23 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.069 1.934 . . . . 0.0 110.594 -175.136 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -47.37 63.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -90.4 -38.87 13.02 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -38.61 15.84 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.612 -175.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.3 -52.21 3.66 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 121.182 1.81 . . . . 0.0 109.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.26 -163.6 1.0 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.95 38.11 3.85 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.143 0.883 . . . . 0.0 109.244 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.89 114.32 1.21 Allowed Glycine 0 C--N 1.354 1.532 0 CA-C-O 117.089 -1.951 . . . . 0.0 109.697 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.68 175.39 11.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 119.255 1.527 . . . . 0.0 108.778 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.06 133.92 13.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.21 133.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -173.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -144.04 85.73 1.82 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.984 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -24.85 109.73 0.01 OUTLIER Glycine 0 C--N 1.358 1.761 0 CA-C-O 116.5 -2.278 . . . . 0.0 112.592 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 89.8 p 119.19 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.359 0.987 0 CA-C-N 118.742 1.271 . . . . 0.0 108.679 -165.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.11 168.8 41.18 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.473 -1.181 . . . . 0.0 111.419 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.0 t -137.31 143.12 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 132.92 49.59 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 114.774 -2.536 . . . . 0.0 107.195 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -133.04 143.99 49.75 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.725 1.602 . . . . 0.0 108.899 -169.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.12 135.51 47.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 CA-C-O 116.265 -1.826 . . . . 0.0 107.828 -172.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 38' ' ' ARG . 3.7 p90 -127.03 55.78 1.55 Allowed 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.16 -141.72 9.8 Favored Glycine 0 C--N 1.358 1.767 0 CA-C-O 116.808 -2.106 . . . . 0.0 108.011 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t 36.5 -113.18 0.09 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-N 118.976 1.388 . . . . 0.0 110.986 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.98 62.01 0.11 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.355 1.434 . . . . 0.0 108.419 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 p -72.49 -52.57 15.2 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 119.361 -2.087 . . . . 0.0 106.951 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.045 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.4 -42.26 71.92 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.976 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.45 -30.73 66.37 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.498 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -78.17 -29.1 48.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.961 1.255 . . . . 0.0 109.144 174.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -62.0 -56.05 23.07 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.211 1.369 . . . . 0.0 108.25 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -55.85 -39.02 70.85 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.392 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.8 mtm -62.44 -41.74 98.96 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 120.226 1.376 . . . . 0.0 107.577 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -51.84 -47.49 64.37 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.9 -40.61 85.0 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.663 -1.161 . . . . 0.0 110.193 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 10.1 m-30 -55.46 -46.03 76.86 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.139 1.336 . . . . 0.0 111.928 -175.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.92 -43.26 68.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -61.1 -31.01 70.7 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 C--N 1.354 0.766 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.759 177.785 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.7 mtp . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 117.432 -1.271 . . . . 0.0 113.448 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.79 -45.86 86.71 Favored Pre-proline 0 C--N 1.352 0.688 0 CA-C-N 120.937 1.699 . . . . 0.0 110.417 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HG3' ' CD1' ' A' ' 87' ' ' TYR . 77.4 Cg_endo -89.14 -22.25 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 123.096 2.141 . . . . 0.0 114.587 176.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.42 -35.51 12.91 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 121.521 1.964 . . . . 0.0 107.094 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.53 21.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.442 -1.266 . . . . 0.0 108.658 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -35.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 CA-C-N 120.554 1.525 . . . . 0.0 109.25 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.55 77.53 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.94 -32.18 1.53 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.08 -1.914 . . . . 0.0 112.866 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -125.99 -49.32 1.6 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.905 1.23 . . . . 0.0 110.604 177.529 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 5.54 43.28 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-O 116.505 -2.275 . . . . 0.0 113.351 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.79 -4.84 48.46 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 121.018 2.409 . . . . 0.0 113.268 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 81.11 7.99 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 121.195 2.498 . . . . 0.0 104.64 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -47.54 -29.84 3.12 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.244 1.383 . . . . 0.0 110.267 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ILE . 43.9 t30 -44.95 -21.93 0.07 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-O 116.642 -1.647 . . . . 0.0 114.491 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.1 mp -6.6 149.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 119.762 3.245 . . . . 0.0 119.762 169.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.4 -52.23 2.73 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.951 -1.499 . . . . 0.0 110.371 -174.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.15 109.73 3.82 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-N 122.08 2.218 . . . . 0.0 111.531 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -109.9 170.25 8.19 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.836 1.198 . . . . 0.0 108.7 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.57 71.79 1.4 Allowed 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 148.47 42.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.577 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.69 173.4 11.93 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.956 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -33.38 -57.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 37' ' ' THR 0.286 0.9 OUTLIER -146.74 45.2 1.19 Allowed 'General case' 0 C--N 1.345 0.387 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 179.575 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -146.65 136.23 23.02 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.616 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.2 pp -150.17 100.99 2.96 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.224 -1.846 . . . . 0.0 108.621 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -83.64 168.65 16.13 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 115.141 -2.362 . . . . 0.0 110.746 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.67 62.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.209 0 CA-C-N 122.363 2.347 . . . . 0.0 112.667 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m -75.31 117.02 16.66 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 112.325 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 m -147.85 163.98 6.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.181 0 CA-C-N 119.223 0.92 . . . . 0.0 110.691 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.1 40.55 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.643 -1.17 . . . . 0.0 110.747 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -44.61 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.63 -1.176 . . . . 0.0 113.864 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.298 0.7 OUTLIER 42.33 19.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.017 1.735 . . . . 0.0 114.519 -174.804 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 t -69.73 -45.84 67.28 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.027 1.285 . . . . 0.0 108.704 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 22.52 3.13 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.916 0.76 . . . . 0.0 111.295 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' CD2' ' A' ' 23' ' ' PHE . 6.5 p -65.04 156.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.468 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -103.7 66.13 0.85 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.956 0.798 . . . . 0.0 109.659 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -61.83 -41.33 97.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.695 1.134 . . . . 0.0 108.25 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.88 -31.78 0.54 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.139 0.881 . . . . 0.0 112.149 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.99 -45.42 4.17 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.717 171.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -31.71 72.21 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 120.835 2.317 . . . . 0.0 107.79 -171.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -50.02 73.75 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -92.14 -45.38 8.3 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 124.092 0.87 . . . . 0.0 109.911 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.01 -26.69 33.61 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.611 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.84 -67.06 0.97 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 121.128 1.785 . . . . 0.0 109.184 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.17 -148.14 0.33 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . . . -160.86 59.45 0.31 Allowed 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.463 1.938 . . . . 0.0 110.451 169.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.69 71.69 0.01 OUTLIER Glycine 0 C--N 1.352 1.429 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -108.86 174.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 118.576 1.188 . . . . 0.0 109.507 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.03 137.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.68 137.13 40.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -146.89 93.26 2.25 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.737 -1.601 . . . . 0.0 108.797 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.92 111.6 0.06 OUTLIER Glycine 0 C--N 1.358 1.792 0 CA-C-O 116.336 -2.369 . . . . 0.0 111.603 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 80.8 p 120.71 -24.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.022 0 CA-C-N 118.787 1.294 . . . . 0.0 109.591 -166.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.17 165.37 32.84 Favored Glycine 0 C--N 1.353 1.488 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.15 136.08 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 166.21 10.54 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.271 . . -159.75 115.42 2.44 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 121.285 1.857 . . . . 0.0 108.776 178.544 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.81 160.89 41.79 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 CA-C-O 117.61 -1.186 . . . . 0.0 108.173 -166.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 1.5 t80 -119.86 -54.67 2.13 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 118.477 -0.773 . . . . 0.0 112.442 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.19 -69.61 0.37 Allowed Glycine 0 C--N 1.358 1.774 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 m -162.34 -49.56 0.04 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.381 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -61.53 8.53 0.04 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.205 -1.855 . . . . 0.0 113.083 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 10.8 t -48.53 -49.47 35.99 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 124.195 3.18 . . . . 0.0 110.144 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -48.37 -40.18 24.77 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.403 1.001 . . . . 0.0 111.076 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -61.92 -48.14 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.246 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -50.16 15.27 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -48.22 -35.38 11.8 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.89 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -58.77 -44.19 90.56 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.816 1.189 . . . . 0.0 109.635 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -53.98 -36.41 62.88 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 109.144 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.79 -47.99 70.4 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -45.59 -51.62 11.76 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.359 0.982 . . . . 0.0 109.289 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.87 -48.53 31.19 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.227 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.481 ' CD1' ' HG3' ' A' ' 17' ' ' PRO . 9.4 t80 -51.81 -50.52 60.62 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 119.992 1.269 . . . . 0.0 113.453 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.2 mp -66.26 -41.38 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -63.39 -33.83 76.41 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.27 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 C--N 1.353 0.741 0 CA-C-O 117.907 -1.044 . . . . 0.0 111.663 177.821 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.6 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 116.82 -1.562 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.95 -43.93 85.11 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-N 121.994 2.179 . . . . 0.0 111.351 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 28.2 Cg_endo -74.09 -30.65 8.63 Favored 'Trans proline' 0 C--N 1.363 1.32 0 CA-C-N 123.662 2.344 . . . . 0.0 112.566 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.885 1.221 . . . . 0.0 108.818 171.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -65.37 -66.64 0.52 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 -177.807 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.8 p -43.96 -37.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.212 0 CA-C-N 121.446 1.93 . . . . 0.0 110.569 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.9 97.33 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -44.27 -28.56 0.54 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-O 115.252 -2.309 . . . . 0.0 114.61 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -129.58 -57.11 1.13 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.838 2.108 . . . . 0.0 110.033 179.494 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.64 -24.4 62.02 Favored Glycine 0 C--N 1.36 1.877 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.292 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.33 7.24 63.9 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 117.084 -1.953 . . . . 0.0 112.665 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -68.72 85.68 0.31 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -52.11 -27.02 12.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.852 1.205 . . . . 0.0 110.772 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -45.04 -27.65 0.59 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 116.959 -1.496 . . . . 0.0 112.653 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 4.59 123.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 168.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.19 -54.93 1.58 Allowed 'General case' 0 C--N 1.363 1.195 0 CA-C-O 116.691 -1.623 . . . . 0.0 112.473 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -142.83 94.74 2.67 Favored 'General case' 0 C--N 1.361 1.102 0 CA-C-N 122.663 2.483 . . . . 0.0 111.27 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -125.93 -170.68 2.23 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.62 1.554 . . . . 0.0 107.166 -165.393 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -158.96 93.78 1.18 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 121.085 1.766 . . . . 0.0 107.859 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 152.91 33.96 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.792 1.178 . . . . 0.0 110.783 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.89 173.82 7.94 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 119.386 0.994 . . . . 0.0 111.951 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.357 0.0 OUTLIER -33.67 -81.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -174.7 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.14 27.48 9.57 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -143.02 119.9 11.27 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.117 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.583 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.8 pp -141.67 120.41 12.63 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.795 -1.574 . . . . 0.0 107.678 176.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -101.57 165.22 11.35 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 115.571 -2.157 . . . . 0.0 109.139 -173.078 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' LEU . 2.4 t -146.17 73.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.261 0 CA-C-N 119.901 1.228 . . . . 0.0 113.006 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 113.51 12.55 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 121.831 2.105 . . . . 0.0 112.719 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.06 162.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 CA-C-N 120.605 1.548 . . . . 0.0 112.5 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -89.12 -17.91 28.28 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 116.539 -1.696 . . . . 0.0 111.374 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.36 76.37 0.01 OUTLIER 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.38 1.9 . . . . 0.0 109.263 169.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.4 p -100.97 61.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 104.478 -2.416 . . . . 0.0 104.478 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -130.9 99.65 4.99 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 118.604 -0.713 . . . . 0.0 109.447 -170.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.28 42.11 25.24 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG13 ' HG3' ' A' ' 51' ' ' GLN . 1.4 p -80.75 -13.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-O 117.266 -1.35 . . . . 0.0 108.289 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.99 56.91 6.49 Favored 'General case' 0 C--N 1.36 1.042 0 CA-C-N 120.861 1.664 . . . . 0.0 107.792 174.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HG3' HG13 ' A' ' 49' ' ' VAL . 23.7 mt-30 -76.33 -42.98 43.15 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -25.53 39.47 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.208 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -43.13 7.76 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.195 169.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -69.37 -13.93 62.64 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.108 -170.184 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -44.96 28.53 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 120.204 1.365 . . . . 0.0 112.414 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -88.56 -39.74 13.9 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 124.264 0.978 . . . . 0.0 110.303 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.82 -36.62 14.12 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.529 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.6 -45.46 5.2 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 119.289 0.95 . . . . 0.0 112.012 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.81 -150.26 0.44 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.713 -1.613 . . . . 0.0 106.818 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.24 58.5 0.58 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.061 1.755 . . . . 0.0 108.308 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 85.72 0.14 Allowed Glycine 0 C--N 1.355 1.617 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.0 175.03 4.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 119.304 1.552 . . . . 0.0 107.202 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.04 127.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.25 139.44 23.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 117.406 -1.283 . . . . 0.0 108.042 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -149.16 87.28 1.52 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.824 -176.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -27.62 115.85 0.04 OUTLIER Glycine 0 C--N 1.358 1.75 0 CA-C-O 116.012 -2.549 . . . . 0.0 112.852 -176.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 92.4 p 112.03 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.048 0 CA-C-N 119.149 1.474 . . . . 0.0 108.739 -165.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.7 171.63 38.35 Favored Glycine 0 C--N 1.352 1.455 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.6 t -148.19 151.53 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -116.0 179.36 4.01 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 177.078 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.332 . . -159.71 127.03 4.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.165 -0.922 . . . . 0.0 109.269 175.163 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.63 152.87 13.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -168.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.76 71.32 0.79 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.23 -81.08 0.02 OUTLIER Glycine 0 C--N 1.354 1.56 0 CA-C-O 118.596 -1.114 . . . . 0.0 113.93 -168.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -126.28 34.0 4.92 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.029 0.914 . . . . 0.0 110.589 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.47 49.67 1.41 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -41.38 20.42 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.526 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.25 -48.4 80.1 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.508 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.52 -50.58 72.13 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.042 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -44.28 80.41 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.269 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.73 -39.48 65.31 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.962 1.255 . . . . 0.0 111.014 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 p -67.35 -62.02 1.63 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -53.89 -34.02 58.23 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.459 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.6 mtp -62.32 -47.42 84.32 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.574 1.988 . . . . 0.0 106.732 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.18 -48.98 44.66 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.15 -40.71 64.48 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.546 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -64.06 -48.66 75.36 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.571 1.078 . . . . 0.0 110.37 -173.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.0 -42.85 95.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.57 -33.7 73.08 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.581 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.5 t30 . . . . . 0 C--N 1.354 0.786 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.911 177.522 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.481 ' C ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 mtt . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 115.838 -2.03 . . . . 0.0 112.994 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.549 ' HB3' ' CD2' ' A' ' 87' ' ' TYR . . . -54.53 -29.14 4.69 Favored Pre-proline 0 C--N 1.35 0.628 0 CA-C-N 124.021 3.1 . . . . 0.0 115.021 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' C ' ' A' ' 15' ' ' MET . 88.0 Cg_endo -86.82 -41.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.237 0 CA-C-N 125.202 2.894 . . . . 0.0 110.942 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.35 85.22 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.977 1.262 . . . . 0.0 109.204 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -59.33 2.95 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -174.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -48.08 -35.8 5.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 CA-C-N 120.654 1.57 . . . . 0.0 109.203 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -38.28 90.49 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.18 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.71 -21.15 3.72 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.452 -1.737 . . . . 0.0 115.26 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.515 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -133.4 -55.88 0.9 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.185 1.811 . . . . 0.0 109.343 177.39 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 -24.34 72.52 Favored Glycine 0 C--N 1.361 1.924 0 CA-C-O 117.399 -1.779 . . . . 0.0 112.889 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.99 11.15 71.25 Favored Glycine 0 C--N 1.358 1.759 0 CA-C-N 119.641 1.721 . . . . 0.0 111.778 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.4 74.32 9.98 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 101.705 -3.443 . . . . 0.0 101.705 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.58 -30.28 53.9 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 119.391 -0.923 . . . . 0.0 109.976 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.58 -18.66 0.46 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.827 -1.082 . . . . 0.0 113.816 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -35.89 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.4 -59.73 2.44 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -131.21 148.91 52.76 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.762 1.165 . . . . 0.0 112.311 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -152.18 135.43 15.87 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -120.07 69.85 0.86 Allowed 'General case' 0 C--N 1.357 0.893 0 CA-C-N 121.893 2.133 . . . . 0.0 107.067 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.06 146.62 49.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.368 -1.301 . . . . 0.0 110.699 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.36 172.39 12.33 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 119.689 1.131 . . . . 0.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -32.06 -68.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.7 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.9 p -130.97 41.83 3.31 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.11 121.55 6.31 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 115.73 -2.081 . . . . 0.0 108.68 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.362 3.4 pp -116.78 -179.99 3.85 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.042 2.201 . . . . 0.0 108.984 169.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.67 161.11 43.01 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.698 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 23' ' ' PHE . 1.9 t -144.45 72.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-N 121.939 2.154 . . . . 0.0 109.073 -178.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -71.16 110.78 6.03 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.287 -1.34 . . . . 0.0 112.926 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -148.78 164.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 118.977 0.808 . . . . 0.0 112.754 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.04 -38.82 52.0 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.601 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.253 10.3 t70 -33.74 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 CA-C-O 116.819 -1.562 . . . . 0.0 113.798 -174.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.284 0.8 OUTLIER 43.36 13.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-N 122.08 2.218 . . . . 0.0 116.279 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 t -112.4 10.29 19.81 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 120.272 1.396 . . . . 0.0 111.686 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -172.77 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.855 -178.346 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' LYS . 2.1 p -30.0 136.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.154 170.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.89 64.46 8.65 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 16.9 mt-30 -65.04 -42.31 94.43 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -175.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -32.85 3.23 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.284 0.99 . . . . 0.0 111.995 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.67 -40.5 6.74 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.525 -1.153 . . . . 0.0 110.846 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.515 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.79 -19.6 65.95 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 120.202 2.001 . . . . 0.0 109.433 -173.577 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -46.24 57.82 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -91.05 -44.62 9.19 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -89.32 -30.47 18.41 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.453 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.27 -36.66 5.61 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.178 -1.346 . . . . 0.0 113.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . -125.22 -150.57 0.45 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.91 56.4 0.31 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 122.312 2.323 . . . . 0.0 110.142 173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.08 76.84 0.05 OUTLIER Glycine 0 C--N 1.355 1.608 0 CA-C-O 117.522 -1.71 . . . . 0.0 109.099 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -112.69 173.17 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.964 0 CA-C-N 119.5 1.65 . . . . 0.0 108.234 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.45 137.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.1 131.22 61.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.91 84.82 1.85 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 116.714 -1.612 . . . . 0.0 108.562 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -25.0 108.78 0.01 OUTLIER Glycine 0 C--N 1.36 1.887 0 CA-C-O 115.97 -2.572 . . . . 0.0 111.968 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 70.3 m 123.59 -31.3 0.01 OUTLIER 'General case' 0 C--N 1.361 1.083 0 CA-C-N 118.854 1.327 . . . . 0.0 108.444 -165.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.44 166.31 39.02 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 117.761 -1.577 . . . . 0.0 109.984 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -144.97 128.64 11.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -102.18 153.02 20.34 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 113.963 -2.922 . . . . 0.0 106.942 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.98 96.53 3.02 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.475 2.398 . . . . 0.0 111.822 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -110.15 158.56 10.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.408 -1.282 . . . . 0.0 110.562 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.34 -59.44 1.89 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 124.86 1.35 . . . . 0.0 109.446 172.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.79 70.06 1.17 Allowed Glycine 0 C--N 1.359 1.837 0 CA-C-O 117.394 -1.781 . . . . 0.0 110.482 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 m 61.5 -60.44 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 118.651 1.225 . . . . 0.0 113.702 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 77' ' ' SER . 14.8 ptmm? -44.22 -19.37 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 CA-C-O 116.351 -1.785 . . . . 0.0 111.463 174.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' LYS . 1.4 t -27.98 -56.86 0.11 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-O 116.982 -1.485 . . . . 0.0 108.819 166.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.3 -51.39 45.57 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 120.004 1.275 . . . . 0.0 111.211 -173.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -51.12 -47.09 62.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.681 1.128 . . . . 0.0 110.336 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.75 -57.31 11.38 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -58.82 -33.58 70.56 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 120.895 -1.128 . . . . 0.0 109.881 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 p -68.41 -50.28 53.98 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -57.0 -35.55 69.35 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' ASP . 35.9 mtp -63.8 -53.32 52.6 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.442 178.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' MET . 19.0 t70 -41.72 -56.32 2.69 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -176.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.1 -54.2 39.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.848 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 9.8 m-85 -51.12 -50.83 58.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.454 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.31 -45.8 92.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 120.578 1.535 . . . . 0.0 107.595 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -59.63 -32.99 70.94 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.926 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 t30 . . . . . 0 C--N 1.354 0.801 0 CA-C-O 117.909 -1.043 . . . . 0.0 111.502 177.857 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 CA--C 1.506 -0.712 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -50.52 -42.4 75.14 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 115.857 -2.021 . . . . 0.0 110.338 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 6.5 Cg_endo -76.64 -38.12 1.06 Allowed 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 123.785 2.388 . . . . 0.0 113.193 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.95 -33.05 16.41 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -73.17 0.12 Allowed 'General case' 0 C--N 1.357 0.92 0 CA-C-O 115.237 -2.316 . . . . 0.0 106.953 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' GLY . 12.6 p -40.0 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.412 0 CA-C-N 122.335 2.334 . . . . 0.0 111.542 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.07 80.02 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.97 1.259 . . . . 0.0 111.719 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.5 33.35 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.672 1.124 . . . . 0.0 112.601 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.735 ' HB3' HD13 ' A' ' 54' ' ' LEU 0.317 2.6 t80 -116.06 13.23 15.8 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.128 0.893 . . . . 0.0 113.075 177.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -147.54 25.25 1.52 Allowed Glycine 0 C--N 1.358 1.756 0 CA-C-O 118.055 -1.414 . . . . 0.0 113.549 170.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.29 52.67 0.53 Allowed Glycine 0 C--N 1.354 1.573 0 N-CA-C 106.42 -2.672 . . . . 0.0 106.42 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -117.19 72.13 0.82 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 102.229 -3.248 . . . . 0.0 102.229 -176.764 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -34.73 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.628 1.104 . . . . 0.0 113.354 -175.152 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' LYS . 60.2 t30 -50.41 -15.93 0.3 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -10.53 142.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 171.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.18 -58.12 1.07 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 117.063 -1.446 . . . . 0.0 112.309 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.41 ' C ' HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -135.93 118.89 16.32 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 122.355 2.343 . . . . 0.0 109.859 -178.253 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -137.33 -178.54 5.26 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.321 1.419 . . . . 0.0 108.033 -171.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.76 78.92 1.0 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.271 0.941 . . . . 0.0 108.823 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.97 152.56 44.3 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.123 -1.417 . . . . 0.0 111.44 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.36 177.11 2.29 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.78 1.173 . . . . 0.0 113.105 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -32.91 -65.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.105 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -171.158 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.481 ' HA ' ' CE1' ' A' ' 73' ' ' PHE . 70.3 m -134.78 35.32 3.13 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -142.4 116.5 9.43 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.293 3.9 pp -132.81 133.81 43.86 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.933 -1.508 . . . . 0.0 110.231 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.52 170.59 8.45 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.004 1.729 . . . . 0.0 110.322 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.18 86.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.6 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 t -93.55 101.67 13.85 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 116.222 -1.847 . . . . 0.0 111.13 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.3 166.54 17.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-N 119.833 1.197 . . . . 0.0 113.892 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.5 -4.13 58.67 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.203 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 61.31 0.28 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.472 1.942 . . . . 0.0 108.946 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.64 17.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 172.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -57.27 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.694 1.134 . . . . 0.0 111.387 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -108.16 10.06 28.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.162 174.417 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG21 ' CD1' ' A' ' 23' ' ' PHE . 7.4 p -33.85 138.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.921 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -98.72 49.85 0.97 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.897 1.226 . . . . 0.0 108.721 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -42.32 76.39 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.86 -33.22 48.84 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.733 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -42.47 8.69 Favored Glycine 0 C--N 1.353 1.509 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -61.74 -26.53 68.13 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 119.34 1.57 . . . . 0.0 111.881 -167.025 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' CB ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -66.56 -43.79 84.08 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 119.856 1.207 . . . . 0.0 112.27 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -98.29 -7.2 29.5 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.809 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -116.54 -25.59 7.37 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.444 -1.741 . . . . 0.0 111.959 179.69 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.27 -48.54 0.7 Allowed Glycine 0 C--N 1.358 1.754 0 CA-C-N 123.464 2.847 . . . . 0.0 111.98 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.5 -153.37 0.51 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.83 46.46 1.87 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.237 1.835 . . . . 0.0 109.638 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 123.29 2.12 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.689 HG13 ' CB ' ' A' ' 55' ' ' LYS . 1.5 m -139.29 167.03 20.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 120.085 1.943 . . . . 0.0 106.978 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 m -133.69 140.71 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.0 t -115.44 119.35 61.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.58 113.49 16.16 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 115.916 -1.992 . . . . 0.0 107.154 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 67' ' ' SER . . . -47.27 116.24 2.51 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 123.101 2.682 . . . . 0.0 110.247 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 78.4 p 122.99 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.318 1.559 . . . . 0.0 108.963 -169.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 161.0 26.45 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.458 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -130.74 154.53 40.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -139.25 114.82 9.9 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 115.645 -2.122 . . . . 0.0 107.847 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.51 156.45 17.28 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.773 1.629 . . . . 0.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.65 140.52 19.04 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 113.811 -2.995 . . . . 0.0 106.76 -177.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 37' ' ' THR 0.335 11.5 p90 -125.62 37.86 4.28 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 123.425 2.83 . . . . 0.0 110.945 -177.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.29 56.67 0.47 Allowed Glycine 0 C--N 1.36 1.912 0 O-C-N 124.153 0.908 . . . . 0.0 111.538 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . 0.288 54.4 m -148.98 -43.18 0.15 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 124.778 0.928 . . . . 0.0 108.611 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 54.23 1.95 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.222 1.374 . . . . 0.0 109.365 165.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.7 p -51.25 -44.56 61.76 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.712 -1.868 . . . . 0.0 110.109 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.02 -41.75 99.61 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.052 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.12 -39.62 75.35 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.397 0.999 . . . . 0.0 109.227 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.49 -24.82 60.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.055 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -77.54 -37.44 50.83 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 173.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -55.37 -59.45 4.78 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.073 1.306 . . . . 0.0 109.569 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 57' ' ' LEU . 12.7 pt-20 -53.08 -32.64 48.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.001 -1.08 . . . . 0.0 112.36 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.0 mtp -71.1 -47.0 60.67 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -43.63 -50.02 7.5 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.9 -43.79 49.74 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.106 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.407 ' CZ ' HG13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -55.93 -51.52 67.37 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.702 1.592 . . . . 0.0 111.543 -177.327 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.407 HG13 ' CZ ' ' A' ' 87' ' ' TYR . 2.3 mp -64.52 -43.5 96.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.72 -33.22 74.68 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.661 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 t30 . . . . . 0 C--N 1.354 0.798 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.039 177.883 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptp . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.46 80.61 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 116.457 -1.735 . . . . 0.0 108.062 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -89.22 -19.78 1.48 Allowed 'Trans proline' 0 C--N 1.362 1.289 0 CA-C-N 123.308 2.217 . . . . 0.0 114.922 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.85 -31.85 5.49 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.897 2.135 . . . . 0.0 107.501 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -65.08 0.66 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.594 174.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -45.36 -37.92 2.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 CA-C-N 123.044 2.656 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.79 92.22 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.27 -21.06 3.09 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 115.768 -2.063 . . . . 0.0 115.831 -176.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CD1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -130.37 -54.81 1.1 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.209 1.822 . . . . 0.0 110.473 176.835 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.3 78.62 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-O 118.504 -1.164 . . . . 0.0 111.603 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.54 4.73 83.99 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-O 117.599 -1.667 . . . . 0.0 113.228 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -74.0 81.46 1.71 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -34.9 50.57 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.333 -0.947 . . . . 0.0 111.033 -174.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -47.64 -29.66 3.14 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -23.05 155.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 119.851 3.278 . . . . 0.0 119.851 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.7 p -97.66 -63.73 1.1 Allowed 'General case' 0 C--N 1.362 1.135 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.896 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -147.88 121.6 9.25 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 120.58 1.536 . . . . 0.0 112.393 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.73 170.81 8.31 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 60.9 1.69 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.97 143.8 57.41 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.854 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -169.1 165.85 11.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 116.58 -1.676 . . . . 0.0 110.193 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.318 0.0 OUTLIER -10.1 -99.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.699 -1.62 . . . . 0.0 114.994 -177.743 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -101.97 17.14 23.92 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.562 1.983 . . . . 0.0 111.004 171.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 132.83 56.4 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.33 2.2 pp -141.3 167.17 22.82 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 175.138 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -152.5 161.55 42.43 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 113.783 -3.008 . . . . 0.0 107.211 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 23' ' ' PHE . 1.4 t -137.78 60.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.151 0 CA-C-N 123.372 2.805 . . . . 0.0 112.377 -174.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.0 p -72.0 88.83 1.09 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.8 163.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.322 -174.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -92.12 -12.03 34.08 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.185 -1.388 . . . . 0.0 111.347 173.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.8 79.55 0.02 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.793 1.633 . . . . 0.0 107.122 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 12.2 p -103.54 41.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 174.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 t -84.64 72.57 10.68 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 118.844 -0.598 . . . . 0.0 109.808 -172.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.82 54.72 4.59 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 49' ' ' VAL 0.3 0.2 OUTLIER -87.39 61.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -171.853 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' VAL . 42.8 p30 15.62 57.86 0.01 OUTLIER 'General case' 0 C--N 1.362 1.146 0 C-N-CA 123.643 0.777 . . . . 0.0 112.489 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -76.95 -41.3 43.78 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.7 23.72 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.998 173.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.6 -36.54 7.9 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 118.032 -1.427 . . . . 0.0 111.335 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.5 -11.79 60.31 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.731 1.765 . . . . 0.0 111.907 -172.633 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.648 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -82.5 -32.76 28.59 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 119.582 1.083 . . . . 0.0 113.289 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -100.14 -17.58 17.34 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.984 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -112.17 -26.91 8.57 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.367 0.985 . . . . 0.0 112.651 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.16 -41.84 2.73 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-N 120.881 1.673 . . . . 0.0 111.955 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.23 -150.54 0.45 Allowed 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -147.41 44.52 1.13 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 121.572 1.987 . . . . 0.0 108.102 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.19 107.94 1.11 Allowed Glycine 0 C--N 1.353 1.488 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -172.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.648 HG13 ' HB2' ' A' ' 55' ' ' LYS . 3.9 m -129.93 172.29 16.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.96 127.24 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.5 t -103.19 124.9 57.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -173.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -136.48 82.52 1.95 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.437 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -22.11 110.37 0.01 OUTLIER Glycine 0 C--N 1.359 1.829 0 CA-C-O 116.46 -2.3 . . . . 0.0 113.214 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 46.1 t 119.81 -33.3 0.01 OUTLIER 'General case' 0 C--N 1.359 1.008 0 CA-C-N 118.944 1.372 . . . . 0.0 107.864 -167.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.35 158.02 30.76 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-O 117.849 -1.528 . . . . 0.0 110.269 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.4 t -138.02 152.97 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.842 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 145.8 49.15 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 113.937 -2.935 . . . . 0.0 108.102 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -140.91 117.71 11.03 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 122.21 2.277 . . . . 0.0 111.825 -170.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.69 123.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-O 116.073 -1.918 . . . . 0.0 106.718 -168.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.264 0.0 OUTLIER -93.47 -11.98 30.8 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 121.212 1.824 . . . . 0.0 108.992 176.811 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.56 -163.41 7.73 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 121.061 1.755 . . . . 0.0 111.14 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 t -62.79 -29.38 70.67 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 118.913 -1.115 . . . . 0.0 110.017 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -54.31 -20.29 6.91 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.51 -1.71 . . . . 0.0 111.013 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.2 p -29.75 -41.51 0.03 OUTLIER 'General case' 0 C--N 1.361 1.106 0 CA-C-N 120.976 1.716 . . . . 0.0 115.5 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.65 -44.44 96.97 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.349 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -65.06 -34.18 77.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.797 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.8 -50.75 12.74 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -48.32 -46.91 37.01 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.497 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -49.09 -41.09 34.52 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.299 1.409 . . . . 0.0 111.076 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.21 -40.2 93.85 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.4 mtp -64.16 -50.66 67.3 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.928 0.785 . . . . 0.0 109.155 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -40.36 -43.45 1.76 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.718 0.69 . . . . 0.0 109.47 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.72 82.59 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.524 -1.227 . . . . 0.0 110.63 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -52.89 -50.54 63.68 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.869 1.668 . . . . 0.0 111.637 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 mp -70.97 -45.58 72.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -170.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -62.42 -32.77 73.66 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.066 177.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 C--N 1.354 0.769 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.6 177.659 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.0 mtt . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 87' ' ' TYR . . . -48.62 -42.83 59.53 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 115.429 -2.224 . . . . 0.0 113.371 176.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.09 -18.89 30.52 Favored 'Trans proline' 0 C--N 1.352 0.757 0 CA-C-N 123.961 2.45 . . . . 0.0 112.689 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.62 -5.86 28.3 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.29 170.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -75.19 -68.5 0.55 Allowed 'General case' 0 C--N 1.36 1.046 0 N-CA-C 103.586 -2.746 . . . . 0.0 103.586 -173.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -38.31 -36.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.159 0 CA-C-N 121.348 1.886 . . . . 0.0 112.403 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.25 93.4 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.187 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -48.15 -19.7 0.3 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CB ' HD13 ' A' ' 54' ' ' LEU . 2.0 t80 -140.14 -53.86 0.52 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.683 1.583 . . . . 0.0 109.788 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.76 -28.33 73.53 Favored Glycine 0 C--N 1.358 1.795 0 CA-C-O 117.915 -1.492 . . . . 0.0 112.762 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.23 5.39 84.41 Favored Glycine 0 C--N 1.357 1.703 0 CA-C-N 119.448 1.624 . . . . 0.0 112.721 175.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -88.02 75.01 8.81 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 102.701 -3.074 . . . . 0.0 102.701 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.07 -29.49 60.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.091 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -44.91 -27.76 0.57 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.928 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -32.05 135.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -75.32 -42.58 54.15 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.806 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -134.74 140.7 46.14 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.78 1.173 . . . . 0.0 111.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.96 129.04 11.81 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 115.771 -2.062 . . . . 0.0 106.588 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -111.92 65.74 0.63 Allowed 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.158 2.254 . . . . 0.0 109.267 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 144.45 48.79 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.792 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -163.91 170.16 17.12 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.769 1.168 . . . . 0.0 111.28 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.268 0.1 OUTLIER -25.03 -63.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 t -137.36 31.59 2.6 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.805 1.184 . . . . 0.0 108.648 177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.17 122.03 11.28 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 116.896 -1.526 . . . . 0.0 108.636 -173.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.357 3.2 pp -121.7 173.04 7.7 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.059 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -154.27 159.26 41.2 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 115.304 -2.284 . . . . 0.0 106.172 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 t -148.92 69.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 122.168 2.258 . . . . 0.0 109.32 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -78.7 95.42 5.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.496 -1.24 . . . . 0.0 113.511 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 m -148.9 175.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.216 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -173.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.97 2.29 25.07 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 116.264 -1.826 . . . . 0.0 113.41 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.99 59.98 0.52 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 122.393 2.36 . . . . 0.0 110.218 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.28 0.2 OUTLIER -103.41 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.492 174.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -36.25 -44.13 0.39 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.5 1.5 . . . . 0.0 112.911 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 26.58 0.74 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 23' ' ' PHE . 13.1 p -63.04 149.8 9.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.468 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.74 65.7 1.57 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -70.71 -46.77 62.49 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.74 -34.59 3.71 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.11 0.881 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.68 -42.42 7.29 Favored Glycine 0 C--N 1.354 1.57 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -66.02 -9.58 31.81 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.571 1.685 . . . . 0.0 113.108 -174.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' CB ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -91.06 -44.86 9.03 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.641 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -88.92 -14.62 36.3 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.41 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.3 -36.87 4.53 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.956 1.253 . . . . 0.0 112.97 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.94 -51.01 3.51 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.81 -160.0 0.7 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-O 117.548 -1.215 . . . . 0.0 107.762 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.88 37.79 4.22 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.934 1.243 . . . . 0.0 109.286 -176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.59 120.42 2.14 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 107.581 -2.208 . . . . 0.0 107.581 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 HG13 ' CB ' ' A' ' 55' ' ' LYS . 2.7 m -131.43 174.87 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.14 140.62 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 t -114.84 130.4 69.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.45 87.55 2.02 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 116.893 -1.527 . . . . 0.0 108.214 -174.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -26.4 107.65 0.01 OUTLIER Glycine 0 C--N 1.359 1.816 0 CA-C-O 116.532 -2.26 . . . . 0.0 112.329 -176.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 56.4 p 127.07 -33.59 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 CA-C-N 118.634 1.217 . . . . 0.0 107.962 -166.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.94 174.32 45.26 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.99 144.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.22 143.18 50.76 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 114.15 -2.834 . . . . 0.0 107.833 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -128.92 144.16 51.1 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.211 1.823 . . . . 0.0 109.808 -175.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . 0.277 1.0 OUTLIER -139.33 118.61 13.21 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-O 117.033 -1.46 . . . . 0.0 107.674 -172.59 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -110.9 42.94 1.52 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' LYS . . . -85.17 -166.71 42.23 Favored Glycine 0 C--N 1.359 1.821 0 CA-C-O 117.224 -1.876 . . . . 0.0 109.752 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p 53.62 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.359 0.985 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.7 ptpp? -105.1 54.75 0.7 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 104.398 -2.445 . . . . 0.0 104.398 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.5 t -75.83 -50.78 14.15 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.26 -38.29 73.65 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -66.36 -47.0 74.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.891 0.769 . . . . 0.0 110.075 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.31 -49.17 58.28 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -55.25 -37.68 67.53 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.315 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.44 -46.68 86.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.887 1.221 . . . . 0.0 107.777 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.431 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 72.5 mm-40 -59.05 -41.48 87.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.402 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 49.2 mtp -56.69 -48.35 77.87 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.822 1.192 . . . . 0.0 109.335 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -54.06 -45.98 71.82 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.45 -39.88 48.96 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.642 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 4.9 m-30 -64.63 -47.44 78.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.464 1.029 . . . . 0.0 112.378 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.29 -37.58 80.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -67.44 -31.75 72.15 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.524 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -79.11 -19.52 50.95 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.523 -1.227 . . . . 0.0 111.699 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.01 33.16 4.8 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.694 1.134 . . . . 0.0 109.649 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.602 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -178.005 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.86 -44.19 77.32 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-O 115.391 -2.242 . . . . 0.0 111.228 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 57.9 Cg_endo -71.55 -40.23 3.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 124.404 2.609 . . . . 0.0 112.942 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.39 -31.35 72.41 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.378 0.99 . . . . 0.0 109.281 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.5 tm? -77.91 -67.24 0.75 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-O 115.45 -2.214 . . . . 0.0 105.255 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG11 ' CD2' ' A' ' 87' ' ' TYR . 7.3 p -40.58 -34.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 122.426 2.375 . . . . 0.0 111.081 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.97 79.34 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.111 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.03 -16.66 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' CB ' HD13 ' A' ' 54' ' ' LEU . 2.5 t80 -142.28 -52.78 0.41 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.706 1.594 . . . . 0.0 109.674 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.57 -20.06 67.56 Favored Glycine 0 C--N 1.358 1.774 0 CA-C-O 117.128 -1.929 . . . . 0.0 113.687 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.38 18.32 51.46 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 120.09 1.945 . . . . 0.0 111.53 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -95.18 55.97 1.85 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 104.354 -2.462 . . . . 0.0 104.354 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.81 -25.9 5.04 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.422 1.01 . . . . 0.0 112.029 -169.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -51.1 -16.55 0.48 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.0 152.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -64.11 -56.05 17.6 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 116.455 -1.735 . . . . 0.0 112.397 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -135.51 142.48 45.45 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-N 121.924 2.147 . . . . 0.0 112.004 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.6 148.99 45.88 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 173.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.59 55.44 1.53 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 120.526 1.512 . . . . 0.0 107.441 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 138.2 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.638 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ILE . 3.9 t -163.22 163.89 25.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.46 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.308 0.8 OUTLIER -4.18 -94.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -179.507 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -116.84 29.49 7.9 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -137.83 127.51 25.23 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.324 3.7 pp -130.54 176.52 8.1 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -157.37 156.68 32.71 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.007 -1.949 . . . . 0.0 106.137 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.25 75.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 120.286 1.403 . . . . 0.0 107.841 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -72.63 111.64 7.96 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.115 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -164.58 151.85 2.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.36 -174.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.87 74.36 1.12 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.16 48.9 2.3 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.949 -2.612 . . . . 0.0 103.949 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.28 2.86 2.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.335 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.8 t -48.81 -33.55 10.67 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.824 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -164.59 -64.8 0.04 OUTLIER 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.925 -1.512 . . . . 0.0 110.743 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS 0.321 9.0 p 42.63 177.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.065 0 O-C-N 124.48 1.113 . . . . 0.0 113.421 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.6 50.85 2.17 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.33 -45.86 68.45 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.59 -34.72 0.39 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.63 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 -48.51 3.15 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 119.119 -0.823 . . . . 0.0 111.192 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.406 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -55.03 -24.28 23.88 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -177.073 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -32.81 62.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 116.045 1.868 . . . . 0.0 116.045 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.65 -40.86 5.86 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 124.247 0.967 . . . . 0.0 109.968 176.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.67 -55.06 9.59 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.51 -49.76 5.03 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-O 119.173 -0.793 . . . . 0.0 111.607 -171.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.56 -166.0 1.05 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.5 37.51 2.91 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.71 1.141 . . . . 0.0 108.344 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.68 98.59 0.36 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -173.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -120.93 161.57 20.65 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.57 151.03 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.07 94.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -109.77 87.11 2.43 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.807 -1.568 . . . . 0.0 108.717 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -23.74 104.5 0.01 OUTLIER Glycine 0 C--N 1.36 1.888 0 CA-C-O 116.567 -2.241 . . . . 0.0 112.701 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 m 130.74 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.043 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -167.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.24 158.97 31.11 Favored Glycine 0 C--N 1.355 1.607 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.7 t -135.74 133.77 51.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -112.82 149.4 33.12 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 112.873 -3.441 . . . . 0.0 107.036 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -138.72 125.49 20.94 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 123.27 2.759 . . . . 0.0 112.276 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -131.09 126.58 59.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-N 121.679 2.036 . . . . 0.0 108.666 -171.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.302 0.0 OUTLIER -96.86 -7.99 32.08 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.875 178.264 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 -159.63 27.66 Favored Glycine 0 C--N 1.359 1.855 0 CA-C-N 120.395 1.452 . . . . 0.0 109.769 169.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.0 t -63.89 -30.92 71.96 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.667 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -51.43 -26.49 8.15 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.466 1.03 . . . . 0.0 110.782 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -37.72 -34.08 0.09 Allowed 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 116.289 -1.815 . . . . 0.0 115.144 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -62.6 -47.34 84.22 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 122.301 2.319 . . . . 0.0 108.499 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -69.18 -38.54 78.75 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.888 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.17 -38.81 60.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -36.77 64.43 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.251 -1.531 . . . . 0.0 110.076 172.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -60.36 -48.01 83.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.167 1.349 . . . . 0.0 109.718 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 120.07 1.305 . . . . 0.0 109.347 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 39.2 mtm -67.59 -40.95 84.8 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -48.69 -53.83 17.25 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -54.14 -48.47 70.8 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.102 -1.427 . . . . 0.0 109.657 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -44.88 -59.62 2.46 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 120.316 1.416 . . . . 0.0 111.557 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.5 -43.96 97.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.207 -173.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -64.12 -29.34 70.47 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.24 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.97 -22.36 49.56 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.938 177.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.85 33.98 4.97 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 118.991 0.814 . . . . 0.0 109.254 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.608 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -177.172 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 116.872 -1.537 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -44.91 -48.02 29.8 Favored Pre-proline 0 C--N 1.356 0.861 0 CA-C-O 116.192 -1.861 . . . . 0.0 112.299 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 50.4 Cg_endo -69.65 -39.78 6.29 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.947 2.445 . . . . 0.0 112.077 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -30.51 71.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.264 0.938 . . . . 0.0 109.643 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -76.76 -66.08 0.86 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 -173.514 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -44.39 -36.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 CA-C-N 121.41 1.914 . . . . 0.0 109.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -40.73 91.25 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.878 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -45.96 -27.44 0.9 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.785 -1.579 . . . . 0.0 115.2 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.498 ' CZ ' ' NE2' ' A' ' 51' ' ' GLN . 0.9 OUTLIER -128.66 -52.84 1.25 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 120.063 1.301 . . . . 0.0 110.526 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.22 -18.23 76.5 Favored Glycine 0 C--N 1.358 1.752 0 CA-C-O 117.617 -1.657 . . . . 0.0 113.716 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.04 14.68 62.42 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 119.705 1.752 . . . . 0.0 111.451 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -87.76 74.43 9.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 104.27 -2.493 . . . . 0.0 104.27 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -36.26 18.61 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.888 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -43.19 -31.99 0.68 Allowed 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -20.67 159.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 121.8 4.0 . . . . 0.0 121.8 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.94 -56.5 2.23 Favored 'General case' 0 C--N 1.364 1.211 0 CA-C-O 116.62 -1.657 . . . . 0.0 111.999 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.42 128.12 10.86 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 123.697 2.953 . . . . 0.0 113.486 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.66 168.93 10.55 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 120.182 1.356 . . . . 0.0 108.04 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.62 77.99 1.72 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 150.67 48.26 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.386 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -169.02 177.2 5.01 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.541 1.064 . . . . 0.0 112.063 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.327 0.0 OUTLIER -30.43 -71.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -174.365 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -125.71 32.68 5.25 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -137.78 135.08 35.99 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.874 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 3.8 pp -147.63 119.23 7.97 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 115.747 -2.073 . . . . 0.0 107.514 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -100.43 168.84 9.49 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 122.848 2.567 . . . . 0.0 109.168 -175.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.457 ' HB ' ' CZ ' ' A' ' 23' ' ' PHE . 1.3 t -142.01 69.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.988 0 CA-C-N 119.535 1.061 . . . . 0.0 112.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -69.83 108.64 4.04 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.482 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.77 164.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 CA-C-N 119.977 1.262 . . . . 0.0 113.373 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -101.94 -13.35 17.64 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.239 -1.839 . . . . 0.0 112.565 172.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.15 76.03 0.01 OUTLIER 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.819 2.099 . . . . 0.0 109.114 169.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.6 p -109.17 35.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -70.42 -62.7 1.29 Allowed 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.35 13.01 2.38 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.502 -1.237 . . . . 0.0 114.035 173.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.25 132.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.476 1.489 . . . . 0.0 111.218 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -86.86 71.4 10.31 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 23' ' ' PHE . 66.4 mt-30 -79.56 -39.78 30.99 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.78 -29.83 8.51 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.611 . . . . 0.0 110.757 175.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 -39.54 8.09 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.751 -1.027 . . . . 0.0 111.035 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -68.1 -18.55 64.68 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 117.03 -1.462 . . . . 0.0 112.163 -173.55 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -80.24 -32.23 38.4 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 119.686 1.13 . . . . 0.0 113.121 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.17 -18.68 16.8 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 117.595 -1.193 . . . . 0.0 112.035 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.47 -34.78 6.42 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.839 1.199 . . . . 0.0 111.937 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.19 -49.05 2.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 120.74 1.609 . . . . 0.0 110.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.19 -162.17 0.89 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.08 56.23 0.89 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 121.173 1.806 . . . . 0.0 109.774 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.2 73.87 0.03 OUTLIER Glycine 0 C--N 1.351 1.376 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 55' ' ' LYS . 2.3 m -111.02 169.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 118.83 1.315 . . . . 0.0 108.626 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.59 135.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.21 127.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.81 93.11 2.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.561 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -30.31 112.11 0.04 OUTLIER Glycine 0 C--N 1.358 1.756 0 CA-C-O 115.71 -2.717 . . . . 0.0 111.782 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 74.6 m 120.82 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.12 1.46 . . . . 0.0 108.837 -167.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.42 162.86 32.48 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.041 -1.422 . . . . 0.0 110.575 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.2 t -136.41 117.15 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.847 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -85.88 158.06 20.03 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.309 . . -150.31 127.21 11.08 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.294 -1.336 . . . . 0.0 109.11 178.151 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -147.37 151.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-N 119.963 1.256 . . . . 0.0 108.594 -169.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -124.15 70.59 1.1 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -33.22 -95.79 0.01 OUTLIER Glycine 0 C--N 1.362 2.015 0 O-C-N 125.246 1.591 . . . . 0.0 114.242 -168.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -101.37 -26.04 13.74 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.643 1.221 . . . . 0.0 111.651 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -64.78 -4.65 4.57 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 120.483 1.492 . . . . 0.0 113.022 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -32.98 -39.91 0.05 OUTLIER 'General case' 0 C--N 1.351 0.649 0 CA-C-N 121.216 1.825 . . . . 0.0 113.989 166.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.35 -50.66 72.24 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 120.741 1.61 . . . . 0.0 109.381 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -61.69 -41.81 98.08 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 119.045 -0.503 . . . . 0.0 112.025 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.56 -47.66 31.41 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.133 -174.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -48.03 -36.43 12.86 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.81 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -61.96 -46.83 87.54 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.908 1.685 . . . . 0.0 109.14 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.71 -40.89 96.64 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.6 mtt -66.53 -36.33 82.43 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.64 -44.91 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.94 -50.13 71.6 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.588 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.74 -61.44 1.25 Allowed 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.761 1.619 . . . . 0.0 111.209 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.1 -44.07 98.56 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.855 -173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -60.78 -31.64 70.99 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.389 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -81.72 -17.63 47.19 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.701 -1.143 . . . . 0.0 111.448 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.11 38.7 3.63 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.487 1.04 . . . . 0.0 108.622 -176.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.595 0 C-N-CA 120.035 -1.079 . . . . 0.0 110.922 -174.086 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.65 -41.34 89.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 115.738 -2.077 . . . . 0.0 111.752 174.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.45 -34.58 9.36 Favored 'Trans proline' 0 C--N 1.353 0.804 0 CA-C-N 123.798 2.392 . . . . 0.0 111.486 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -31.12 71.11 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.474 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -64.94 -67.15 0.46 Allowed 'General case' 0 C--N 1.356 0.88 0 CA-C-O 115.305 -2.283 . . . . 0.0 105.86 -177.254 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -42.05 -37.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.339 0 CA-C-N 122.107 2.23 . . . . 0.0 111.36 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.48 91.29 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.105 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.91 -13.83 0.12 Allowed 'General case' 0 C--N 1.359 0.978 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CD1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -145.85 -48.17 0.21 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-N 121.602 2.001 . . . . 0.0 111.503 177.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.31 -26.3 74.4 Favored Glycine 0 C--N 1.359 1.828 0 CA-C-O 117.552 -1.694 . . . . 0.0 112.567 170.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.5 0.63 68.28 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 119.624 1.712 . . . . 0.0 112.444 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -71.53 85.95 0.87 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 172.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.09 78.6 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.052 0.842 . . . . 0.0 110.091 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -42.92 -29.62 0.34 Allowed 'General case' 0 C--N 1.358 0.962 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -13.98 155.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.695 1 N-CA-C 122.33 4.196 . . . . 0.0 122.33 174.093 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -54.45 2.52 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 117.056 -1.45 . . . . 0.0 111.271 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -151.38 109.09 3.65 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 121.959 2.163 . . . . 0.0 112.669 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.02 162.38 15.95 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.661 1.118 . . . . 0.0 108.084 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.75 68.0 1.44 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.34 146.26 48.73 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.394 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.97 166.43 21.61 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.674 1.124 . . . . 0.0 111.427 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.276 0.1 OUTLIER -24.99 -66.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -173.208 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 p -133.85 35.57 3.33 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -154.26 111.0 3.33 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.932 -1.509 . . . . 0.0 109.035 -170.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.373 3.2 pp -115.34 -178.41 3.37 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.778 1.172 . . . . 0.0 108.398 178.045 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -158.87 155.44 27.77 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 114.834 -2.507 . . . . 0.0 106.995 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.58 64.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 121.898 2.135 . . . . 0.0 111.245 -171.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -69.1 98.06 0.95 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 117.373 -1.299 . . . . 0.0 112.003 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.4 170.82 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.141 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.089 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.92 4.27 15.74 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 116.356 -1.783 . . . . 0.0 112.996 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.46 58.94 0.78 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.555 2.434 . . . . 0.0 109.601 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -93.13 -4.52 10.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.093 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.2 t -31.72 -51.75 0.22 Allowed 'General case' 0 C--N 1.362 1.115 0 CA-C-N 119.989 1.268 . . . . 0.0 112.974 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 26.01 0.78 Allowed 'General case' 0 C--N 1.354 0.768 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 23' ' ' PHE . 13.4 p -57.19 152.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.946 -174.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -102.89 64.21 0.85 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -70.44 -45.1 66.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -33.82 1.76 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.053 0.846 . . . . 0.0 110.726 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -49.23 5.2 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.03 -15.01 41.35 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.3 1.55 . . . . 0.0 112.452 -170.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -45.2 17.99 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -88.8 -35.33 16.69 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.717 1.261 . . . . 0.0 110.674 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.5 tm? -89.1 -44.57 10.24 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.388 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.47 -56.25 3.03 Favored Glycine 0 C--N 1.351 1.391 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.48 -151.69 0.45 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.61 40.54 2.2 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.295 1.407 . . . . 0.0 109.77 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.02 107.92 0.86 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.276 -1.847 . . . . 0.0 109.041 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.71 171.86 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-N 119.464 1.632 . . . . 0.0 106.631 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.17 134.39 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.71 127.22 62.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -138.84 90.69 2.46 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.87 -1.538 . . . . 0.0 107.993 -176.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -29.0 112.46 0.03 OUTLIER Glycine 0 C--N 1.358 1.802 0 CA-C-O 116.094 -2.503 . . . . 0.0 111.858 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 36.4 t 117.35 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.012 1.406 . . . . 0.0 109.508 -167.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.24 163.31 31.31 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.817 -1.546 . . . . 0.0 110.848 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -138.68 135.2 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -108.57 152.39 24.83 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 114.025 -2.893 . . . . 0.0 107.085 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -142.09 126.51 17.72 Favored 'General case' 0 C--N 1.363 1.182 0 CA-C-N 122.229 2.286 . . . . 0.0 112.001 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.3 125.47 67.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.303 1.865 . . . . 0.0 109.378 -169.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CE1' HD23 ' A' ' 39' ' ' LEU . 1.1 p90 -116.04 50.04 1.06 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.76 165.93 19.14 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 m 82.74 -42.66 0.12 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.947 1.373 . . . . 0.0 109.66 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.78 55.25 1.0 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.039 1.29 . . . . 0.0 110.579 174.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -55.08 22.86 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.72 -41.1 69.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.273 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -61.12 -44.52 97.22 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.862 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -67.44 0.44 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -31.74 0.51 Allowed 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.255 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -64.4 -69.37 0.29 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.766 1.166 . . . . 0.0 109.43 174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.4 -34.58 58.27 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 118.984 0.811 . . . . 0.0 110.657 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.456 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 42.6 mtp -63.24 -45.89 89.5 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.514 1.052 . . . . 0.0 108.9 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -48.2 -47.07 35.7 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.68 -42.82 93.8 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.696 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 84' ' ' MET . 6.0 m-30 -56.34 -49.78 73.38 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.54 1.063 . . . . 0.0 110.239 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.66 -42.1 94.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -64.7 -28.46 69.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.494 0.588 . . . . 0.0 111.233 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -74.97 -20.74 59.53 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.181 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.25 24.22 5.93 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.359 0.981 . . . . 0.0 111.357 -176.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.599 0 N-CA-C 108.314 -1.914 . . . . 0.0 108.314 -177.797 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 C--O 1.217 -0.655 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -55.75 -41.75 92.53 Favored Pre-proline 0 C--N 1.354 0.783 0 CA-C-N 122.224 2.284 . . . . 0.0 111.022 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 11.5 Cg_endo -70.82 -50.28 0.36 Allowed 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-N 123.726 2.366 . . . . 0.0 111.75 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.58 86.43 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.561 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -67.15 0.5 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -175.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.46 -33.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.092 0 CA-C-N 120.873 1.669 . . . . 0.0 110.774 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.35 92.64 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 120.126 -0.629 . . . . 0.0 111.146 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.77 -22.47 2.15 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -132.29 -49.15 0.92 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.969 1.713 . . . . 0.0 110.901 176.12 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.97 -20.47 78.9 Favored Glycine 0 C--N 1.359 1.84 0 CA-C-O 117.55 -1.695 . . . . 0.0 113.113 173.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.41 13.54 66.99 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 119.751 1.776 . . . . 0.0 111.54 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.31 57.42 1.22 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 102.859 -3.015 . . . . 0.0 102.859 173.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.02 -23.91 15.15 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.097 -174.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -55.93 -9.47 0.59 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.79 153.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.8 p -70.61 -50.7 34.28 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-O 116.501 -1.714 . . . . 0.0 111.445 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -135.27 146.6 48.71 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 121.931 2.15 . . . . 0.0 113.071 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.15 164.2 19.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.06 70.64 1.2 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.76 153.19 37.15 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.014 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -168.09 -178.92 3.88 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.621 0.646 . . . . 0.0 111.273 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -36.46 -54.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -144.21 42.69 1.41 Allowed 'General case' 0 C--N 1.35 0.598 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -138.94 142.4 38.44 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.672 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.8 OUTLIER -149.42 122.92 9.1 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 114.249 -2.786 . . . . 0.0 108.89 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.94 151.89 46.36 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 120.646 1.566 . . . . 0.0 108.914 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.56 90.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 -175.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.52 122.3 33.23 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 120.179 1.354 . . . . 0.0 109.674 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -158.35 165.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 119.421 1.01 . . . . 0.0 109.556 -166.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.77 -56.75 18.14 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.157 -1.402 . . . . 0.0 110.815 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -21.12 -101.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.153 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER 49.05 17.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.04 0 CA-C-N 122.722 2.51 . . . . 0.0 113.557 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 t -138.92 -76.64 0.36 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.205 0.911 . . . . 0.0 108.862 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -21.15 62.9 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.468 1.031 . . . . 0.0 111.411 175.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' A' ' 23' ' ' PHE . 12.1 p -51.11 150.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.894 -175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -98.2 50.52 1.01 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 118.507 0.594 . . . . 0.0 110.774 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.509 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 6.4 mt-30 -64.92 -38.62 91.58 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -37.22 -38.79 0.23 Allowed 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.629 -0.701 . . . . 0.0 112.089 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -41.73 6.02 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 118.581 -1.122 . . . . 0.0 111.241 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -64.0 -18.66 64.52 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.66 1.73 . . . . 0.0 111.658 -174.574 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -39.25 34.9 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -8.77 21.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.416 -1.278 . . . . 0.0 112.634 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.52 -38.02 5.05 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.283 1.401 . . . . 0.0 111.484 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.95 -67.43 1.17 Allowed Glycine 0 C--N 1.356 1.675 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.42 -165.19 1.23 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -142.8 63.12 1.39 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.158 1.345 . . . . 0.0 107.981 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.7 93.94 0.88 Allowed Glycine 0 C--N 1.351 1.371 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.07 169.78 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 119.261 1.531 . . . . 0.0 108.571 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -133.45 145.04 34.37 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.29 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 -177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.31 97.42 3.29 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 116.489 -1.719 . . . . 0.0 107.956 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.38 112.05 0.06 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 116.205 -2.442 . . . . 0.0 111.491 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 71.2 m 114.54 -16.36 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-N 119.203 1.501 . . . . 0.0 109.803 -167.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.63 174.74 45.12 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 120.938 1.699 . . . . 0.0 111.503 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -152.99 108.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 118.622 1.211 . . . . 0.0 107.982 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.69 147.49 24.49 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-O 116.611 -1.661 . . . . 0.0 107.591 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.257 . . -132.12 146.26 51.92 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.77 149.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-O 115.481 -2.199 . . . . 0.0 107.547 -169.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 60' ' ' ALA 0.253 4.5 p90 -138.23 48.87 1.95 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.598 1.999 . . . . 0.0 113.014 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.91 13.25 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-O 118.337 -1.257 . . . . 0.0 110.958 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.445 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 35.2 p -74.04 90.43 1.99 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.787 1.294 . . . . 0.0 108.604 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 84.98 30.78 0.05 OUTLIER 'General case' 0 C--N 1.358 0.957 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.125 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -56.14 1.55 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -53.65 -43.32 68.68 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.387 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 118.921 0.782 . . . . 0.0 111.413 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 3.6 mm? -69.29 -46.47 67.12 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -177.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -58.16 -31.51 67.31 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.589 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -62.86 -44.51 95.93 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.685 1.129 . . . . 0.0 108.726 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.46 -39.02 89.35 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.397 0.999 . . . . 0.0 108.972 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.59 -42.26 87.24 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.159 0.891 . . . . 0.0 108.813 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -50.09 -53.23 28.68 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -48.13 -49.28 32.7 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.054 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -46.63 -62.97 1.14 Allowed 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.709 1.14 . . . . 0.0 110.284 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.56 -45.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.608 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -62.27 -31.67 72.29 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.217 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -77.87 -21.27 51.61 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.08 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.86 36.11 4.38 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.921 0.782 . . . . 0.0 109.457 -177.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.74 0 C-N-CA 120.181 -1.009 . . . . 0.0 111.469 -178.864 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 77.4 mtp . . . . . 0 CA--C 1.509 -0.632 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB1' ' CE1' ' A' ' 87' ' ' TYR . . . -54.43 -41.61 90.09 Favored Pre-proline 0 C--N 1.352 0.701 0 CA-C-O 116.025 -1.941 . . . . 0.0 111.436 177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 38.9 Cg_endo -72.93 -30.21 11.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 CA-C-N 124.779 2.742 . . . . 0.0 112.239 172.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.33 71.23 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.415 1.461 . . . . 0.0 108.977 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.07 -66.57 0.48 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.23 -1.843 . . . . 0.0 109.008 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.3 p -46.19 -36.61 2.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 122.093 2.224 . . . . 0.0 110.118 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.03 86.0 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 119.204 -0.998 . . . . 0.0 111.481 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -22.4 31.14 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -133.35 -46.02 0.83 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.934 1.697 . . . . 0.0 110.366 175.184 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.94 -22.65 78.71 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 117.436 -1.758 . . . . 0.0 113.907 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.14 9.79 72.18 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-N 120.191 1.996 . . . . 0.0 112.275 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -82.16 79.22 8.71 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -34.34 67.99 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.062 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -45.17 -28.52 0.77 Allowed 'General case' 0 C--N 1.357 0.907 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -12.94 151.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 121.517 3.895 . . . . 0.0 121.517 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 p -104.03 -61.77 1.4 Allowed 'General case' 0 C--N 1.364 1.217 0 CA-C-O 118.232 -0.889 . . . . 0.0 111.478 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -143.39 104.5 4.25 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.5 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.71 163.7 13.03 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 119.895 1.225 . . . . 0.0 109.046 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.26 69.08 1.48 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 144.67 56.93 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.931 -1.509 . . . . 0.0 110.88 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -163.34 169.11 19.52 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 120.347 1.43 . . . . 0.0 112.292 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.293 0.0 OUTLIER -26.19 -69.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -174.216 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -131.2 35.49 3.9 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -150.51 102.9 3.08 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 117.724 -1.131 . . . . 0.0 108.762 -173.336 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.597 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 4.3 pp -120.2 142.28 49.14 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 115.146 -2.359 . . . . 0.0 107.244 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -123.13 167.54 13.56 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 114.86 -2.495 . . . . 0.0 109.087 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.42 57.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.244 0 CA-C-N 121.647 2.021 . . . . 0.0 115.259 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -71.89 88.69 1.05 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.97 152.72 15.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.993 -174.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.01 -6.95 59.69 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.499 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.98 68.34 0.16 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.058 1.754 . . . . 0.0 108.379 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.89 30.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.049 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 t -72.77 -85.02 0.03 OUTLIER 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.659 -1.162 . . . . 0.0 109.895 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.89 5.06 49.43 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.899 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 23' ' ' PHE . 12.3 p -40.91 141.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.781 -171.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.2 p30 -95.19 53.17 1.5 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.8 1.182 . . . . 0.0 108.275 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 22.0 mt-30 -63.37 -44.99 93.19 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.03 -32.47 1.69 Allowed 'General case' 0 C--N 1.348 0.527 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.426 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.35 -44.2 4.41 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-O 118.412 -1.215 . . . . 0.0 111.757 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -60.61 -24.1 65.23 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.069 1.934 . . . . 0.0 110.594 -175.136 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -47.37 63.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -90.4 -38.87 13.02 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -38.61 15.84 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.612 -175.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.3 -52.21 3.66 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 121.182 1.81 . . . . 0.0 109.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.26 -163.6 1.0 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.95 38.11 3.85 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.143 0.883 . . . . 0.0 109.244 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.89 114.32 1.21 Allowed Glycine 0 C--N 1.354 1.532 0 CA-C-O 117.089 -1.951 . . . . 0.0 109.697 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.68 175.39 11.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 119.255 1.527 . . . . 0.0 108.778 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.06 133.92 13.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.21 133.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -173.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -144.04 85.73 1.82 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.984 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -24.85 109.73 0.01 OUTLIER Glycine 0 C--N 1.358 1.761 0 CA-C-O 116.5 -2.278 . . . . 0.0 112.592 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 89.8 p 119.19 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.359 0.987 0 CA-C-N 118.742 1.271 . . . . 0.0 108.679 -165.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.11 168.8 41.18 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.473 -1.181 . . . . 0.0 111.419 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.0 t -137.31 143.12 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 132.92 49.59 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 114.774 -2.536 . . . . 0.0 107.195 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -133.04 143.99 49.75 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.725 1.602 . . . . 0.0 108.899 -169.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.12 135.51 47.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 CA-C-O 116.265 -1.826 . . . . 0.0 107.828 -172.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 38' ' ' ARG . 3.7 p90 -127.03 55.78 1.55 Allowed 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.16 -141.72 9.8 Favored Glycine 0 C--N 1.358 1.767 0 CA-C-O 116.808 -2.106 . . . . 0.0 108.011 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t 36.5 -113.18 0.09 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-N 118.976 1.388 . . . . 0.0 110.986 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.98 62.01 0.11 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.355 1.434 . . . . 0.0 108.419 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 p -72.49 -52.57 15.2 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 119.361 -2.087 . . . . 0.0 106.951 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.045 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.4 -42.26 71.92 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.976 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.45 -30.73 66.37 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.498 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -78.17 -29.1 48.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.961 1.255 . . . . 0.0 109.144 174.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -62.0 -56.05 23.07 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.211 1.369 . . . . 0.0 108.25 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -55.85 -39.02 70.85 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.392 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.8 mtm -62.44 -41.74 98.96 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 120.226 1.376 . . . . 0.0 107.577 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -51.84 -47.49 64.37 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.9 -40.61 85.0 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.663 -1.161 . . . . 0.0 110.193 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 10.1 m-30 -55.46 -46.03 76.86 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.139 1.336 . . . . 0.0 111.928 -175.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.92 -43.26 68.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -61.1 -31.01 70.7 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -78.65 -27.14 45.26 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.759 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.57 39.73 3.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -176.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.608 0 C-N-CA 119.939 -1.124 . . . . 0.0 111.505 -176.914 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.7 mtp . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 117.432 -1.271 . . . . 0.0 113.448 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.79 -45.86 86.71 Favored Pre-proline 0 C--N 1.352 0.688 0 CA-C-N 120.937 1.699 . . . . 0.0 110.417 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HG3' ' CD1' ' A' ' 87' ' ' TYR . 77.4 Cg_endo -89.14 -22.25 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 123.096 2.141 . . . . 0.0 114.587 176.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.42 -35.51 12.91 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 121.521 1.964 . . . . 0.0 107.094 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.53 21.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.442 -1.266 . . . . 0.0 108.658 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -35.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 CA-C-N 120.554 1.525 . . . . 0.0 109.25 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.55 77.53 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.94 -32.18 1.53 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.08 -1.914 . . . . 0.0 112.866 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -125.99 -49.32 1.6 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.905 1.23 . . . . 0.0 110.604 177.529 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 5.54 43.28 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-O 116.505 -2.275 . . . . 0.0 113.351 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.79 -4.84 48.46 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 121.018 2.409 . . . . 0.0 113.268 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 81.11 7.99 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 121.195 2.498 . . . . 0.0 104.64 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -47.54 -29.84 3.12 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.244 1.383 . . . . 0.0 110.267 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ILE . 43.9 t30 -44.95 -21.93 0.07 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-O 116.642 -1.647 . . . . 0.0 114.491 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.1 mp -6.6 149.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 119.762 3.245 . . . . 0.0 119.762 169.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.4 -52.23 2.73 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.951 -1.499 . . . . 0.0 110.371 -174.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.15 109.73 3.82 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-N 122.08 2.218 . . . . 0.0 111.531 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -109.9 170.25 8.19 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.836 1.198 . . . . 0.0 108.7 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.57 71.79 1.4 Allowed 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 148.47 42.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.577 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.69 173.4 11.93 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.956 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -33.38 -57.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 37' ' ' THR 0.286 0.9 OUTLIER -146.74 45.2 1.19 Allowed 'General case' 0 C--N 1.345 0.387 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 179.575 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -146.65 136.23 23.02 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.616 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.2 pp -150.17 100.99 2.96 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.224 -1.846 . . . . 0.0 108.621 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -83.64 168.65 16.13 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 115.141 -2.362 . . . . 0.0 110.746 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.67 62.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.209 0 CA-C-N 122.363 2.347 . . . . 0.0 112.667 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m -75.31 117.02 16.66 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 112.325 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 m -147.85 163.98 6.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.181 0 CA-C-N 119.223 0.92 . . . . 0.0 110.691 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.1 40.55 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.643 -1.17 . . . . 0.0 110.747 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -44.61 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.63 -1.176 . . . . 0.0 113.864 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.298 0.7 OUTLIER 42.33 19.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.017 1.735 . . . . 0.0 114.519 -174.804 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 t -69.73 -45.84 67.28 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.027 1.285 . . . . 0.0 108.704 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 22.52 3.13 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.916 0.76 . . . . 0.0 111.295 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' CD2' ' A' ' 23' ' ' PHE . 6.5 p -65.04 156.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.468 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -103.7 66.13 0.85 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.956 0.798 . . . . 0.0 109.659 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -61.83 -41.33 97.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.695 1.134 . . . . 0.0 108.25 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.88 -31.78 0.54 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.139 0.881 . . . . 0.0 112.149 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.99 -45.42 4.17 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.717 171.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -31.71 72.21 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 120.835 2.317 . . . . 0.0 107.79 -171.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -50.02 73.75 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -92.14 -45.38 8.3 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 124.092 0.87 . . . . 0.0 109.911 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.01 -26.69 33.61 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.611 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.84 -67.06 0.97 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 121.128 1.785 . . . . 0.0 109.184 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.17 -148.14 0.33 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . . . -160.86 59.45 0.31 Allowed 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.463 1.938 . . . . 0.0 110.451 169.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.69 71.69 0.01 OUTLIER Glycine 0 C--N 1.352 1.429 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -108.86 174.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 118.576 1.188 . . . . 0.0 109.507 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.03 137.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.68 137.13 40.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -146.89 93.26 2.25 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.737 -1.601 . . . . 0.0 108.797 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.92 111.6 0.06 OUTLIER Glycine 0 C--N 1.358 1.792 0 CA-C-O 116.336 -2.369 . . . . 0.0 111.603 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 80.8 p 120.71 -24.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.022 0 CA-C-N 118.787 1.294 . . . . 0.0 109.591 -166.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.17 165.37 32.84 Favored Glycine 0 C--N 1.353 1.488 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.15 136.08 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 166.21 10.54 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.271 . . -159.75 115.42 2.44 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 121.285 1.857 . . . . 0.0 108.776 178.544 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.81 160.89 41.79 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 CA-C-O 117.61 -1.186 . . . . 0.0 108.173 -166.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 1.5 t80 -119.86 -54.67 2.13 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 118.477 -0.773 . . . . 0.0 112.442 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.19 -69.61 0.37 Allowed Glycine 0 C--N 1.358 1.774 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 m -162.34 -49.56 0.04 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.381 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -61.53 8.53 0.04 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.205 -1.855 . . . . 0.0 113.083 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 10.8 t -48.53 -49.47 35.99 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 124.195 3.18 . . . . 0.0 110.144 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -48.37 -40.18 24.77 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.403 1.001 . . . . 0.0 111.076 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -61.92 -48.14 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.246 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -50.16 15.27 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -48.22 -35.38 11.8 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.89 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -58.77 -44.19 90.56 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.816 1.189 . . . . 0.0 109.635 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -53.98 -36.41 62.88 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 109.144 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.79 -47.99 70.4 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -45.59 -51.62 11.76 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.359 0.982 . . . . 0.0 109.289 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.87 -48.53 31.19 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.227 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.481 ' CD1' ' HG3' ' A' ' 17' ' ' PRO . 9.4 t80 -51.81 -50.52 60.62 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 119.992 1.269 . . . . 0.0 113.453 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.2 mp -66.26 -41.38 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -63.39 -33.83 76.41 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.27 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -77.57 -22.51 50.85 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.907 -1.044 . . . . 0.0 111.663 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.73 36.81 4.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.61 0 C-N-CA 120.079 -1.058 . . . . 0.0 110.738 -175.681 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.6 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 116.82 -1.562 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.95 -43.93 85.11 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-N 121.994 2.179 . . . . 0.0 111.351 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 28.2 Cg_endo -74.09 -30.65 8.63 Favored 'Trans proline' 0 C--N 1.363 1.32 0 CA-C-N 123.662 2.344 . . . . 0.0 112.566 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.885 1.221 . . . . 0.0 108.818 171.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -65.37 -66.64 0.52 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 -177.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.8 p -43.96 -37.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.212 0 CA-C-N 121.446 1.93 . . . . 0.0 110.569 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.9 97.33 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -44.27 -28.56 0.54 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-O 115.252 -2.309 . . . . 0.0 114.61 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -129.58 -57.11 1.13 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.838 2.108 . . . . 0.0 110.033 179.494 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.64 -24.4 62.02 Favored Glycine 0 C--N 1.36 1.877 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.292 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.33 7.24 63.9 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 117.084 -1.953 . . . . 0.0 112.665 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -68.72 85.68 0.31 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -52.11 -27.02 12.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.852 1.205 . . . . 0.0 110.772 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -45.04 -27.65 0.59 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 116.959 -1.496 . . . . 0.0 112.653 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 4.59 123.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 168.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.19 -54.93 1.58 Allowed 'General case' 0 C--N 1.363 1.195 0 CA-C-O 116.691 -1.623 . . . . 0.0 112.473 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -142.83 94.74 2.67 Favored 'General case' 0 C--N 1.361 1.102 0 CA-C-N 122.663 2.483 . . . . 0.0 111.27 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -125.93 -170.68 2.23 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.62 1.554 . . . . 0.0 107.166 -165.393 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -158.96 93.78 1.18 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 121.085 1.766 . . . . 0.0 107.859 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 152.91 33.96 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.792 1.178 . . . . 0.0 110.783 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.89 173.82 7.94 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 119.386 0.994 . . . . 0.0 111.951 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.357 0.0 OUTLIER -33.67 -81.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -174.7 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.14 27.48 9.57 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -143.02 119.9 11.27 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.117 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.583 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.8 pp -141.67 120.41 12.63 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.795 -1.574 . . . . 0.0 107.678 176.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -101.57 165.22 11.35 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 115.571 -2.157 . . . . 0.0 109.139 -173.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' LEU . 2.4 t -146.17 73.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.261 0 CA-C-N 119.901 1.228 . . . . 0.0 113.006 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 113.51 12.55 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 121.831 2.105 . . . . 0.0 112.719 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.06 162.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 CA-C-N 120.605 1.548 . . . . 0.0 112.5 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -89.12 -17.91 28.28 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 116.539 -1.696 . . . . 0.0 111.374 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.36 76.37 0.01 OUTLIER 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.38 1.9 . . . . 0.0 109.263 169.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.4 p -100.97 61.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 104.478 -2.416 . . . . 0.0 104.478 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -130.9 99.65 4.99 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 118.604 -0.713 . . . . 0.0 109.447 -170.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.28 42.11 25.24 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG13 ' HG3' ' A' ' 51' ' ' GLN . 1.4 p -80.75 -13.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-O 117.266 -1.35 . . . . 0.0 108.289 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.99 56.91 6.49 Favored 'General case' 0 C--N 1.36 1.042 0 CA-C-N 120.861 1.664 . . . . 0.0 107.792 174.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HG3' HG13 ' A' ' 49' ' ' VAL . 23.7 mt-30 -76.33 -42.98 43.15 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -25.53 39.47 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.208 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -43.13 7.76 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.195 169.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -69.37 -13.93 62.64 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.108 -170.184 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -44.96 28.53 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 120.204 1.365 . . . . 0.0 112.414 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -88.56 -39.74 13.9 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 124.264 0.978 . . . . 0.0 110.303 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.82 -36.62 14.12 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.529 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.6 -45.46 5.2 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 119.289 0.95 . . . . 0.0 112.012 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.81 -150.26 0.44 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.713 -1.613 . . . . 0.0 106.818 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.24 58.5 0.58 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.061 1.755 . . . . 0.0 108.308 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 85.72 0.14 Allowed Glycine 0 C--N 1.355 1.617 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.0 175.03 4.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 119.304 1.552 . . . . 0.0 107.202 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.04 127.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.25 139.44 23.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 117.406 -1.283 . . . . 0.0 108.042 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -149.16 87.28 1.52 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.824 -176.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -27.62 115.85 0.04 OUTLIER Glycine 0 C--N 1.358 1.75 0 CA-C-O 116.012 -2.549 . . . . 0.0 112.852 -176.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 92.4 p 112.03 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.048 0 CA-C-N 119.149 1.474 . . . . 0.0 108.739 -165.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.7 171.63 38.35 Favored Glycine 0 C--N 1.352 1.455 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.6 t -148.19 151.53 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -116.0 179.36 4.01 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 177.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.332 . . -159.71 127.03 4.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.165 -0.922 . . . . 0.0 109.269 175.163 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.63 152.87 13.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -168.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.76 71.32 0.79 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.23 -81.08 0.02 OUTLIER Glycine 0 C--N 1.354 1.56 0 CA-C-O 118.596 -1.114 . . . . 0.0 113.93 -168.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -126.28 34.0 4.92 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.029 0.914 . . . . 0.0 110.589 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.47 49.67 1.41 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -41.38 20.42 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.526 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.25 -48.4 80.1 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.508 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.52 -50.58 72.13 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.042 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -44.28 80.41 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.269 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.73 -39.48 65.31 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.962 1.255 . . . . 0.0 111.014 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 p -67.35 -62.02 1.63 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -53.89 -34.02 58.23 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.459 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.6 mtp -62.32 -47.42 84.32 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.574 1.988 . . . . 0.0 106.732 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.18 -48.98 44.66 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.15 -40.71 64.48 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.546 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -64.06 -48.66 75.36 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.571 1.078 . . . . 0.0 110.37 -173.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.0 -42.85 95.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.57 -33.7 73.08 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.581 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -75.18 -18.34 60.19 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.911 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.64 31.7 4.5 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.542 1.065 . . . . 0.0 110.285 -177.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.474 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.337 -175.042 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.481 ' C ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 mtt . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 115.838 -2.03 . . . . 0.0 112.994 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' HB3' ' CD2' ' A' ' 87' ' ' TYR . . . -54.53 -29.14 4.69 Favored Pre-proline 0 C--N 1.35 0.628 0 CA-C-N 124.021 3.1 . . . . 0.0 115.021 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' C ' ' A' ' 15' ' ' MET . 88.0 Cg_endo -86.82 -41.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.237 0 CA-C-N 125.202 2.894 . . . . 0.0 110.942 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.35 85.22 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.977 1.262 . . . . 0.0 109.204 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -59.33 2.95 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -174.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -48.08 -35.8 5.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 CA-C-N 120.654 1.57 . . . . 0.0 109.203 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -38.28 90.49 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.18 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.71 -21.15 3.72 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.452 -1.737 . . . . 0.0 115.26 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.515 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -133.4 -55.88 0.9 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.185 1.811 . . . . 0.0 109.343 177.39 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 -24.34 72.52 Favored Glycine 0 C--N 1.361 1.924 0 CA-C-O 117.399 -1.779 . . . . 0.0 112.889 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.99 11.15 71.25 Favored Glycine 0 C--N 1.358 1.759 0 CA-C-N 119.641 1.721 . . . . 0.0 111.778 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.4 74.32 9.98 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 101.705 -3.443 . . . . 0.0 101.705 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.58 -30.28 53.9 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 119.391 -0.923 . . . . 0.0 109.976 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.58 -18.66 0.46 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.827 -1.082 . . . . 0.0 113.816 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -35.89 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.4 -59.73 2.44 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -131.21 148.91 52.76 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.762 1.165 . . . . 0.0 112.311 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -152.18 135.43 15.87 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -120.07 69.85 0.86 Allowed 'General case' 0 C--N 1.357 0.893 0 CA-C-N 121.893 2.133 . . . . 0.0 107.067 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.06 146.62 49.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.368 -1.301 . . . . 0.0 110.699 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.36 172.39 12.33 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 119.689 1.131 . . . . 0.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -32.06 -68.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.7 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.9 p -130.97 41.83 3.31 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.11 121.55 6.31 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 115.73 -2.081 . . . . 0.0 108.68 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.362 3.4 pp -116.78 -179.99 3.85 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.042 2.201 . . . . 0.0 108.984 169.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.67 161.11 43.01 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.698 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 23' ' ' PHE . 1.9 t -144.45 72.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-N 121.939 2.154 . . . . 0.0 109.073 -178.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -71.16 110.78 6.03 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.287 -1.34 . . . . 0.0 112.926 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -148.78 164.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 118.977 0.808 . . . . 0.0 112.754 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.04 -38.82 52.0 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.601 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.253 10.3 t70 -33.74 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 CA-C-O 116.819 -1.562 . . . . 0.0 113.798 -174.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.284 0.8 OUTLIER 43.36 13.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-N 122.08 2.218 . . . . 0.0 116.279 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 t -112.4 10.29 19.81 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 120.272 1.396 . . . . 0.0 111.686 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -172.77 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.855 -178.346 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' LYS . 2.1 p -30.0 136.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.154 170.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.89 64.46 8.65 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 16.9 mt-30 -65.04 -42.31 94.43 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -175.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -32.85 3.23 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.284 0.99 . . . . 0.0 111.995 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.67 -40.5 6.74 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.525 -1.153 . . . . 0.0 110.846 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.515 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.79 -19.6 65.95 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 120.202 2.001 . . . . 0.0 109.433 -173.577 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -46.24 57.82 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -91.05 -44.62 9.19 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -89.32 -30.47 18.41 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.453 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.27 -36.66 5.61 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.178 -1.346 . . . . 0.0 113.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . -125.22 -150.57 0.45 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.91 56.4 0.31 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 122.312 2.323 . . . . 0.0 110.142 173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.08 76.84 0.05 OUTLIER Glycine 0 C--N 1.355 1.608 0 CA-C-O 117.522 -1.71 . . . . 0.0 109.099 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -112.69 173.17 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.964 0 CA-C-N 119.5 1.65 . . . . 0.0 108.234 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.45 137.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.1 131.22 61.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.91 84.82 1.85 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 116.714 -1.612 . . . . 0.0 108.562 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -25.0 108.78 0.01 OUTLIER Glycine 0 C--N 1.36 1.887 0 CA-C-O 115.97 -2.572 . . . . 0.0 111.968 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 70.3 m 123.59 -31.3 0.01 OUTLIER 'General case' 0 C--N 1.361 1.083 0 CA-C-N 118.854 1.327 . . . . 0.0 108.444 -165.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.44 166.31 39.02 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 117.761 -1.577 . . . . 0.0 109.984 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -144.97 128.64 11.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -102.18 153.02 20.34 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 113.963 -2.922 . . . . 0.0 106.942 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.98 96.53 3.02 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.475 2.398 . . . . 0.0 111.822 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -110.15 158.56 10.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.408 -1.282 . . . . 0.0 110.562 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.34 -59.44 1.89 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 124.86 1.35 . . . . 0.0 109.446 172.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.79 70.06 1.17 Allowed Glycine 0 C--N 1.359 1.837 0 CA-C-O 117.394 -1.781 . . . . 0.0 110.482 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 m 61.5 -60.44 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 118.651 1.225 . . . . 0.0 113.702 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 77' ' ' SER . 14.8 ptmm? -44.22 -19.37 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 CA-C-O 116.351 -1.785 . . . . 0.0 111.463 174.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' LYS . 1.4 t -27.98 -56.86 0.11 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-O 116.982 -1.485 . . . . 0.0 108.819 166.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.3 -51.39 45.57 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 120.004 1.275 . . . . 0.0 111.211 -173.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -51.12 -47.09 62.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.681 1.128 . . . . 0.0 110.336 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.75 -57.31 11.38 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -58.82 -33.58 70.56 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 120.895 -1.128 . . . . 0.0 109.881 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 p -68.41 -50.28 53.98 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -57.0 -35.55 69.35 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' ASP . 35.9 mtp -63.8 -53.32 52.6 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.442 178.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' MET . 19.0 t70 -41.72 -56.32 2.69 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -176.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.1 -54.2 39.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.848 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 9.8 m-85 -51.12 -50.83 58.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.454 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.31 -45.8 92.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 120.578 1.535 . . . . 0.0 107.595 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -59.63 -32.99 70.94 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.926 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -75.35 -22.13 57.82 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.909 -1.043 . . . . 0.0 111.502 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -130.92 38.08 3.72 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 119.215 0.916 . . . . 0.0 109.484 -174.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.662 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -176.662 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 CA--C 1.506 -0.712 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -50.52 -42.4 75.14 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 115.857 -2.021 . . . . 0.0 110.338 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 6.5 Cg_endo -76.64 -38.12 1.06 Allowed 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 123.785 2.388 . . . . 0.0 113.193 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.95 -33.05 16.41 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -73.17 0.12 Allowed 'General case' 0 C--N 1.357 0.92 0 CA-C-O 115.237 -2.316 . . . . 0.0 106.953 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' GLY . 12.6 p -40.0 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.412 0 CA-C-N 122.335 2.334 . . . . 0.0 111.542 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.07 80.02 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.97 1.259 . . . . 0.0 111.719 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.5 33.35 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.672 1.124 . . . . 0.0 112.601 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.735 ' HB3' HD13 ' A' ' 54' ' ' LEU 0.317 2.6 t80 -116.06 13.23 15.8 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.128 0.893 . . . . 0.0 113.075 177.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -147.54 25.25 1.52 Allowed Glycine 0 C--N 1.358 1.756 0 CA-C-O 118.055 -1.414 . . . . 0.0 113.549 170.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.29 52.67 0.53 Allowed Glycine 0 C--N 1.354 1.573 0 N-CA-C 106.42 -2.672 . . . . 0.0 106.42 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -117.19 72.13 0.82 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 102.229 -3.248 . . . . 0.0 102.229 -176.764 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -34.73 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.628 1.104 . . . . 0.0 113.354 -175.152 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' LYS . 60.2 t30 -50.41 -15.93 0.3 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -10.53 142.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 171.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.18 -58.12 1.07 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 117.063 -1.446 . . . . 0.0 112.309 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.41 ' C ' HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -135.93 118.89 16.32 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 122.355 2.343 . . . . 0.0 109.859 -178.253 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -137.33 -178.54 5.26 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.321 1.419 . . . . 0.0 108.033 -171.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.76 78.92 1.0 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.271 0.941 . . . . 0.0 108.823 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.97 152.56 44.3 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.123 -1.417 . . . . 0.0 111.44 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.36 177.11 2.29 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.78 1.173 . . . . 0.0 113.105 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -32.91 -65.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.105 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -171.158 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.481 ' HA ' ' CE1' ' A' ' 73' ' ' PHE . 70.3 m -134.78 35.32 3.13 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -142.4 116.5 9.43 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.293 3.9 pp -132.81 133.81 43.86 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.933 -1.508 . . . . 0.0 110.231 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.52 170.59 8.45 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.004 1.729 . . . . 0.0 110.322 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.18 86.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.6 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 t -93.55 101.67 13.85 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 116.222 -1.847 . . . . 0.0 111.13 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.3 166.54 17.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-N 119.833 1.197 . . . . 0.0 113.892 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.5 -4.13 58.67 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.203 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 61.31 0.28 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.472 1.942 . . . . 0.0 108.946 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.64 17.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 172.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -57.27 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.694 1.134 . . . . 0.0 111.387 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -108.16 10.06 28.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.162 174.417 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.583 HG21 ' CD1' ' A' ' 23' ' ' PHE . 7.4 p -33.85 138.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.921 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -98.72 49.85 0.97 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.897 1.226 . . . . 0.0 108.721 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -42.32 76.39 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.86 -33.22 48.84 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.733 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -42.47 8.69 Favored Glycine 0 C--N 1.353 1.509 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -61.74 -26.53 68.13 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 119.34 1.57 . . . . 0.0 111.881 -167.025 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' CB ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -66.56 -43.79 84.08 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 119.856 1.207 . . . . 0.0 112.27 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -98.29 -7.2 29.5 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.809 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -116.54 -25.59 7.37 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.444 -1.741 . . . . 0.0 111.959 179.69 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.27 -48.54 0.7 Allowed Glycine 0 C--N 1.358 1.754 0 CA-C-N 123.464 2.847 . . . . 0.0 111.98 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.5 -153.37 0.51 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.83 46.46 1.87 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.237 1.835 . . . . 0.0 109.638 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 123.29 2.12 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.689 HG13 ' CB ' ' A' ' 55' ' ' LYS . 1.5 m -139.29 167.03 20.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 120.085 1.943 . . . . 0.0 106.978 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 m -133.69 140.71 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.0 t -115.44 119.35 61.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.58 113.49 16.16 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 115.916 -1.992 . . . . 0.0 107.154 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 67' ' ' SER . . . -47.27 116.24 2.51 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 123.101 2.682 . . . . 0.0 110.247 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 78.4 p 122.99 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.318 1.559 . . . . 0.0 108.963 -169.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 161.0 26.45 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.458 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -130.74 154.53 40.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -139.25 114.82 9.9 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 115.645 -2.122 . . . . 0.0 107.847 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.51 156.45 17.28 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.773 1.629 . . . . 0.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.65 140.52 19.04 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 113.811 -2.995 . . . . 0.0 106.76 -177.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 37' ' ' THR 0.335 11.5 p90 -125.62 37.86 4.28 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 123.425 2.83 . . . . 0.0 110.945 -177.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.29 56.67 0.47 Allowed Glycine 0 C--N 1.36 1.912 0 O-C-N 124.153 0.908 . . . . 0.0 111.538 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . 0.288 54.4 m -148.98 -43.18 0.15 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 124.778 0.928 . . . . 0.0 108.611 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 54.23 1.95 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.222 1.374 . . . . 0.0 109.365 165.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.7 p -51.25 -44.56 61.76 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.712 -1.868 . . . . 0.0 110.109 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.02 -41.75 99.61 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.052 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.12 -39.62 75.35 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.397 0.999 . . . . 0.0 109.227 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.49 -24.82 60.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.055 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -77.54 -37.44 50.83 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 173.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -55.37 -59.45 4.78 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.073 1.306 . . . . 0.0 109.569 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 57' ' ' LEU . 12.7 pt-20 -53.08 -32.64 48.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.001 -1.08 . . . . 0.0 112.36 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.0 mtp -71.1 -47.0 60.67 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -43.63 -50.02 7.5 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.9 -43.79 49.74 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.106 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.407 ' CZ ' HG13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -55.93 -51.52 67.37 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.702 1.592 . . . . 0.0 111.543 -177.327 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.407 HG13 ' CZ ' ' A' ' 87' ' ' TYR . 2.3 mp -64.52 -43.5 96.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.72 -33.22 74.68 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.661 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -81.09 -18.48 46.4 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.039 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.17 39.15 3.7 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.206 0.912 . . . . 0.0 108.835 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.666 0 C-N-CA 119.895 -1.145 . . . . 0.0 110.583 -175.283 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptp . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.46 80.61 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 116.457 -1.735 . . . . 0.0 108.062 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -89.22 -19.78 1.48 Allowed 'Trans proline' 0 C--N 1.362 1.289 0 CA-C-N 123.308 2.217 . . . . 0.0 114.922 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.85 -31.85 5.49 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.897 2.135 . . . . 0.0 107.501 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -65.08 0.66 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.594 174.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -45.36 -37.92 2.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 CA-C-N 123.044 2.656 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.79 92.22 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.27 -21.06 3.09 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 115.768 -2.063 . . . . 0.0 115.831 -176.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CD1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -130.37 -54.81 1.1 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.209 1.822 . . . . 0.0 110.473 176.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.3 78.62 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-O 118.504 -1.164 . . . . 0.0 111.603 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.54 4.73 83.99 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-O 117.599 -1.667 . . . . 0.0 113.228 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -74.0 81.46 1.71 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -34.9 50.57 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.333 -0.947 . . . . 0.0 111.033 -174.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -47.64 -29.66 3.14 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -23.05 155.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 119.851 3.278 . . . . 0.0 119.851 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.7 p -97.66 -63.73 1.1 Allowed 'General case' 0 C--N 1.362 1.135 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.896 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -147.88 121.6 9.25 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 120.58 1.536 . . . . 0.0 112.393 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.73 170.81 8.31 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 60.9 1.69 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.97 143.8 57.41 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.854 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -169.1 165.85 11.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 116.58 -1.676 . . . . 0.0 110.193 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.318 0.0 OUTLIER -10.1 -99.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.699 -1.62 . . . . 0.0 114.994 -177.743 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -101.97 17.14 23.92 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.562 1.983 . . . . 0.0 111.004 171.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 132.83 56.4 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.33 2.2 pp -141.3 167.17 22.82 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 175.138 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -152.5 161.55 42.43 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 113.783 -3.008 . . . . 0.0 107.211 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 23' ' ' PHE . 1.4 t -137.78 60.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.151 0 CA-C-N 123.372 2.805 . . . . 0.0 112.377 -174.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.0 p -72.0 88.83 1.09 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.8 163.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.322 -174.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -92.12 -12.03 34.08 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.185 -1.388 . . . . 0.0 111.347 173.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.8 79.55 0.02 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.793 1.633 . . . . 0.0 107.122 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 12.2 p -103.54 41.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 174.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 t -84.64 72.57 10.68 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 118.844 -0.598 . . . . 0.0 109.808 -172.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.82 54.72 4.59 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 49' ' ' VAL 0.3 0.2 OUTLIER -87.39 61.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -171.853 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' VAL . 42.8 p30 15.62 57.86 0.01 OUTLIER 'General case' 0 C--N 1.362 1.146 0 C-N-CA 123.643 0.777 . . . . 0.0 112.489 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -76.95 -41.3 43.78 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.7 23.72 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.998 173.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.6 -36.54 7.9 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 118.032 -1.427 . . . . 0.0 111.335 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.5 -11.79 60.31 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.731 1.765 . . . . 0.0 111.907 -172.633 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.648 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -82.5 -32.76 28.59 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 119.582 1.083 . . . . 0.0 113.289 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -100.14 -17.58 17.34 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.984 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -112.17 -26.91 8.57 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.367 0.985 . . . . 0.0 112.651 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.16 -41.84 2.73 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-N 120.881 1.673 . . . . 0.0 111.955 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.23 -150.54 0.45 Allowed 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -147.41 44.52 1.13 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 121.572 1.987 . . . . 0.0 108.102 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.19 107.94 1.11 Allowed Glycine 0 C--N 1.353 1.488 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -172.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.648 HG13 ' HB2' ' A' ' 55' ' ' LYS . 3.9 m -129.93 172.29 16.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.96 127.24 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.5 t -103.19 124.9 57.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -173.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -136.48 82.52 1.95 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.437 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -22.11 110.37 0.01 OUTLIER Glycine 0 C--N 1.359 1.829 0 CA-C-O 116.46 -2.3 . . . . 0.0 113.214 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 46.1 t 119.81 -33.3 0.01 OUTLIER 'General case' 0 C--N 1.359 1.008 0 CA-C-N 118.944 1.372 . . . . 0.0 107.864 -167.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.35 158.02 30.76 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-O 117.849 -1.528 . . . . 0.0 110.269 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.4 t -138.02 152.97 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.842 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 145.8 49.15 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 113.937 -2.935 . . . . 0.0 108.102 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -140.91 117.71 11.03 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 122.21 2.277 . . . . 0.0 111.825 -170.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.69 123.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-O 116.073 -1.918 . . . . 0.0 106.718 -168.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.264 0.0 OUTLIER -93.47 -11.98 30.8 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 121.212 1.824 . . . . 0.0 108.992 176.811 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.56 -163.41 7.73 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 121.061 1.755 . . . . 0.0 111.14 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 t -62.79 -29.38 70.67 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 118.913 -1.115 . . . . 0.0 110.017 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -54.31 -20.29 6.91 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.51 -1.71 . . . . 0.0 111.013 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.2 p -29.75 -41.51 0.03 OUTLIER 'General case' 0 C--N 1.361 1.106 0 CA-C-N 120.976 1.716 . . . . 0.0 115.5 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.65 -44.44 96.97 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.349 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -65.06 -34.18 77.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.797 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.8 -50.75 12.74 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -48.32 -46.91 37.01 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.497 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -49.09 -41.09 34.52 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.299 1.409 . . . . 0.0 111.076 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.21 -40.2 93.85 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.4 mtp -64.16 -50.66 67.3 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.928 0.785 . . . . 0.0 109.155 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -40.36 -43.45 1.76 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.718 0.69 . . . . 0.0 109.47 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.72 82.59 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.524 -1.227 . . . . 0.0 110.63 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -52.89 -50.54 63.68 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.869 1.668 . . . . 0.0 111.637 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 mp -70.97 -45.58 72.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -170.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -62.42 -32.77 73.66 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.066 177.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -77.65 -25.58 49.76 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.6 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.87 38.98 4.08 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.725 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -179.184 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.0 mtt . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 87' ' ' TYR . . . -48.62 -42.83 59.53 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 115.429 -2.224 . . . . 0.0 113.371 176.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.09 -18.89 30.52 Favored 'Trans proline' 0 C--N 1.352 0.757 0 CA-C-N 123.961 2.45 . . . . 0.0 112.689 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.62 -5.86 28.3 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.29 170.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -75.19 -68.5 0.55 Allowed 'General case' 0 C--N 1.36 1.046 0 N-CA-C 103.586 -2.746 . . . . 0.0 103.586 -173.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -38.31 -36.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.159 0 CA-C-N 121.348 1.886 . . . . 0.0 112.403 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.25 93.4 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.187 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -48.15 -19.7 0.3 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CB ' HD13 ' A' ' 54' ' ' LEU . 2.0 t80 -140.14 -53.86 0.52 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.683 1.583 . . . . 0.0 109.788 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.76 -28.33 73.53 Favored Glycine 0 C--N 1.358 1.795 0 CA-C-O 117.915 -1.492 . . . . 0.0 112.762 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.23 5.39 84.41 Favored Glycine 0 C--N 1.357 1.703 0 CA-C-N 119.448 1.624 . . . . 0.0 112.721 175.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -88.02 75.01 8.81 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 102.701 -3.074 . . . . 0.0 102.701 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.07 -29.49 60.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.091 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -44.91 -27.76 0.57 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.928 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -32.05 135.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -75.32 -42.58 54.15 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.806 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -134.74 140.7 46.14 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.78 1.173 . . . . 0.0 111.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.96 129.04 11.81 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 115.771 -2.062 . . . . 0.0 106.588 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -111.92 65.74 0.63 Allowed 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.158 2.254 . . . . 0.0 109.267 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 144.45 48.79 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.792 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -163.91 170.16 17.12 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.769 1.168 . . . . 0.0 111.28 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.268 0.1 OUTLIER -25.03 -63.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 t -137.36 31.59 2.6 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.805 1.184 . . . . 0.0 108.648 177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.17 122.03 11.28 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 116.896 -1.526 . . . . 0.0 108.636 -173.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.357 3.2 pp -121.7 173.04 7.7 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.059 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -154.27 159.26 41.2 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 115.304 -2.284 . . . . 0.0 106.172 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 t -148.92 69.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 122.168 2.258 . . . . 0.0 109.32 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -78.7 95.42 5.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.496 -1.24 . . . . 0.0 113.511 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 m -148.9 175.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.216 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -173.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.97 2.29 25.07 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 116.264 -1.826 . . . . 0.0 113.41 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.99 59.98 0.52 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 122.393 2.36 . . . . 0.0 110.218 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.28 0.2 OUTLIER -103.41 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.492 174.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -36.25 -44.13 0.39 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.5 1.5 . . . . 0.0 112.911 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 26.58 0.74 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 23' ' ' PHE . 13.1 p -63.04 149.8 9.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.468 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.74 65.7 1.57 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -70.71 -46.77 62.49 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.74 -34.59 3.71 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.11 0.881 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.68 -42.42 7.29 Favored Glycine 0 C--N 1.354 1.57 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -66.02 -9.58 31.81 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.571 1.685 . . . . 0.0 113.108 -174.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.5 ' CB ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -91.06 -44.86 9.03 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.641 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -88.92 -14.62 36.3 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.41 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.3 -36.87 4.53 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.956 1.253 . . . . 0.0 112.97 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.94 -51.01 3.51 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.81 -160.0 0.7 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-O 117.548 -1.215 . . . . 0.0 107.762 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.88 37.79 4.22 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.934 1.243 . . . . 0.0 109.286 -176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.59 120.42 2.14 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 107.581 -2.208 . . . . 0.0 107.581 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.5 HG13 ' CB ' ' A' ' 55' ' ' LYS . 2.7 m -131.43 174.87 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.14 140.62 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 t -114.84 130.4 69.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.45 87.55 2.02 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 116.893 -1.527 . . . . 0.0 108.214 -174.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -26.4 107.65 0.01 OUTLIER Glycine 0 C--N 1.359 1.816 0 CA-C-O 116.532 -2.26 . . . . 0.0 112.329 -176.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 56.4 p 127.07 -33.59 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 CA-C-N 118.634 1.217 . . . . 0.0 107.962 -166.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.94 174.32 45.26 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.99 144.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.22 143.18 50.76 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 114.15 -2.834 . . . . 0.0 107.833 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -128.92 144.16 51.1 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.211 1.823 . . . . 0.0 109.808 -175.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . 0.277 1.0 OUTLIER -139.33 118.61 13.21 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-O 117.033 -1.46 . . . . 0.0 107.674 -172.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -110.9 42.94 1.52 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' LYS . . . -85.17 -166.71 42.23 Favored Glycine 0 C--N 1.359 1.821 0 CA-C-O 117.224 -1.876 . . . . 0.0 109.752 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p 53.62 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.359 0.985 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.7 ptpp? -105.1 54.75 0.7 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 104.398 -2.445 . . . . 0.0 104.398 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.5 t -75.83 -50.78 14.15 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.26 -38.29 73.65 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -66.36 -47.0 74.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.891 0.769 . . . . 0.0 110.075 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.31 -49.17 58.28 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -55.25 -37.68 67.53 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.315 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.44 -46.68 86.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.887 1.221 . . . . 0.0 107.777 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.431 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 72.5 mm-40 -59.05 -41.48 87.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.402 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 49.2 mtp -56.69 -48.35 77.87 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.822 1.192 . . . . 0.0 109.335 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -54.06 -45.98 71.82 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.45 -39.88 48.96 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.642 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 4.9 m-30 -64.63 -47.44 78.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.464 1.029 . . . . 0.0 112.378 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.29 -37.58 80.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -67.44 -31.75 72.15 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.524 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 . . . . . 0 C--N 1.352 0.711 0 CA-C-O 117.523 -1.227 . . . . 0.0 111.699 175.71 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.86 -44.19 77.32 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-O 115.391 -2.242 . . . . 0.0 111.228 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 57.9 Cg_endo -71.55 -40.23 3.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 124.404 2.609 . . . . 0.0 112.942 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.39 -31.35 72.41 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.378 0.99 . . . . 0.0 109.281 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.5 tm? -77.91 -67.24 0.75 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-O 115.45 -2.214 . . . . 0.0 105.255 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG11 ' CD2' ' A' ' 87' ' ' TYR . 7.3 p -40.58 -34.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 122.426 2.375 . . . . 0.0 111.081 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.97 79.34 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.111 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.03 -16.66 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.406 ' CB ' HD13 ' A' ' 54' ' ' LEU . 2.5 t80 -142.28 -52.78 0.41 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.706 1.594 . . . . 0.0 109.674 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.57 -20.06 67.56 Favored Glycine 0 C--N 1.358 1.774 0 CA-C-O 117.128 -1.929 . . . . 0.0 113.687 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.38 18.32 51.46 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 120.09 1.945 . . . . 0.0 111.53 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -95.18 55.97 1.85 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 104.354 -2.462 . . . . 0.0 104.354 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.81 -25.9 5.04 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.422 1.01 . . . . 0.0 112.029 -169.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -51.1 -16.55 0.48 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.0 152.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -64.11 -56.05 17.6 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 116.455 -1.735 . . . . 0.0 112.397 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -135.51 142.48 45.45 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-N 121.924 2.147 . . . . 0.0 112.004 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.6 148.99 45.88 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 173.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.59 55.44 1.53 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 120.526 1.512 . . . . 0.0 107.441 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 138.2 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.638 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ILE . 3.9 t -163.22 163.89 25.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.46 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.308 0.8 OUTLIER -4.18 -94.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -179.507 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -116.84 29.49 7.9 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -137.83 127.51 25.23 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.324 3.7 pp -130.54 176.52 8.1 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -157.37 156.68 32.71 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.007 -1.949 . . . . 0.0 106.137 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.25 75.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 120.286 1.403 . . . . 0.0 107.841 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -72.63 111.64 7.96 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.115 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -164.58 151.85 2.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.36 -174.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.87 74.36 1.12 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.16 48.9 2.3 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.949 -2.612 . . . . 0.0 103.949 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.28 2.86 2.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.335 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.8 t -48.81 -33.55 10.67 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.824 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -164.59 -64.8 0.04 OUTLIER 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.925 -1.512 . . . . 0.0 110.743 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS 0.321 9.0 p 42.63 177.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.065 0 O-C-N 124.48 1.113 . . . . 0.0 113.421 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.6 50.85 2.17 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.33 -45.86 68.45 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.59 -34.72 0.39 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.63 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 -48.51 3.15 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 119.119 -0.823 . . . . 0.0 111.192 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.406 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -55.03 -24.28 23.88 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -177.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -32.81 62.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 116.045 1.868 . . . . 0.0 116.045 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.65 -40.86 5.86 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 124.247 0.967 . . . . 0.0 109.968 176.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.67 -55.06 9.59 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.51 -49.76 5.03 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-O 119.173 -0.793 . . . . 0.0 111.607 -171.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.56 -166.0 1.05 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.5 37.51 2.91 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.71 1.141 . . . . 0.0 108.344 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.68 98.59 0.36 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -173.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -120.93 161.57 20.65 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.57 151.03 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.07 94.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -109.77 87.11 2.43 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.807 -1.568 . . . . 0.0 108.717 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -23.74 104.5 0.01 OUTLIER Glycine 0 C--N 1.36 1.888 0 CA-C-O 116.567 -2.241 . . . . 0.0 112.701 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 m 130.74 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.043 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -167.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.24 158.97 31.11 Favored Glycine 0 C--N 1.355 1.607 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.7 t -135.74 133.77 51.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -112.82 149.4 33.12 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 112.873 -3.441 . . . . 0.0 107.036 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -138.72 125.49 20.94 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 123.27 2.759 . . . . 0.0 112.276 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -131.09 126.58 59.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-N 121.679 2.036 . . . . 0.0 108.666 -171.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.302 0.0 OUTLIER -96.86 -7.99 32.08 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.875 178.264 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 -159.63 27.66 Favored Glycine 0 C--N 1.359 1.855 0 CA-C-N 120.395 1.452 . . . . 0.0 109.769 169.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.0 t -63.89 -30.92 71.96 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.667 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -51.43 -26.49 8.15 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.466 1.03 . . . . 0.0 110.782 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -37.72 -34.08 0.09 Allowed 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 116.289 -1.815 . . . . 0.0 115.144 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -62.6 -47.34 84.22 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 122.301 2.319 . . . . 0.0 108.499 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -69.18 -38.54 78.75 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.888 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.17 -38.81 60.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -36.77 64.43 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.251 -1.531 . . . . 0.0 110.076 172.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -60.36 -48.01 83.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.167 1.349 . . . . 0.0 109.718 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 120.07 1.305 . . . . 0.0 109.347 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 39.2 mtm -67.59 -40.95 84.8 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -48.69 -53.83 17.25 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -54.14 -48.47 70.8 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.102 -1.427 . . . . 0.0 109.657 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -44.88 -59.62 2.46 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 120.316 1.416 . . . . 0.0 111.557 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.5 -43.96 97.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.207 -173.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -64.12 -29.34 70.47 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.24 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 C--N 1.354 0.781 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.938 177.638 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 116.872 -1.537 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -44.91 -48.02 29.8 Favored Pre-proline 0 C--N 1.356 0.861 0 CA-C-O 116.192 -1.861 . . . . 0.0 112.299 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 50.4 Cg_endo -69.65 -39.78 6.29 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.947 2.445 . . . . 0.0 112.077 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -30.51 71.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.264 0.938 . . . . 0.0 109.643 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -76.76 -66.08 0.86 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 -173.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -44.39 -36.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 CA-C-N 121.41 1.914 . . . . 0.0 109.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -40.73 91.25 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.878 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -45.96 -27.44 0.9 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.785 -1.579 . . . . 0.0 115.2 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.485 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -128.66 -52.84 1.25 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 120.063 1.301 . . . . 0.0 110.526 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.22 -18.23 76.5 Favored Glycine 0 C--N 1.358 1.752 0 CA-C-O 117.617 -1.657 . . . . 0.0 113.716 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.04 14.68 62.42 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 119.705 1.752 . . . . 0.0 111.451 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -87.76 74.43 9.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 104.27 -2.493 . . . . 0.0 104.27 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -36.26 18.61 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.888 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -43.19 -31.99 0.68 Allowed 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -20.67 159.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 121.8 4.0 . . . . 0.0 121.8 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.94 -56.5 2.23 Favored 'General case' 0 C--N 1.364 1.211 0 CA-C-O 116.62 -1.657 . . . . 0.0 111.999 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.42 128.12 10.86 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 123.697 2.953 . . . . 0.0 113.486 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.66 168.93 10.55 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 120.182 1.356 . . . . 0.0 108.04 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.62 77.99 1.72 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 150.67 48.26 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.386 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -169.02 177.2 5.01 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.541 1.064 . . . . 0.0 112.063 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.327 0.0 OUTLIER -30.43 -71.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -174.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -125.71 32.68 5.25 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -137.78 135.08 35.99 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.874 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 3.8 pp -147.63 119.23 7.97 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 115.747 -2.073 . . . . 0.0 107.514 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -100.43 168.84 9.49 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 122.848 2.567 . . . . 0.0 109.168 -175.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.457 ' HB ' ' CZ ' ' A' ' 23' ' ' PHE . 1.3 t -142.01 69.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.988 0 CA-C-N 119.535 1.061 . . . . 0.0 112.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -69.83 108.64 4.04 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.482 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.77 164.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 CA-C-N 119.977 1.262 . . . . 0.0 113.373 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -101.94 -13.35 17.64 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.239 -1.839 . . . . 0.0 112.565 172.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.15 76.03 0.01 OUTLIER 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.819 2.099 . . . . 0.0 109.114 169.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.6 p -109.17 35.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -70.42 -62.7 1.29 Allowed 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.35 13.01 2.38 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.502 -1.237 . . . . 0.0 114.035 173.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.25 132.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.476 1.489 . . . . 0.0 111.218 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -86.86 71.4 10.31 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -79.56 -39.78 30.99 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.78 -29.83 8.51 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.611 . . . . 0.0 110.757 175.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 -39.54 8.09 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.751 -1.027 . . . . 0.0 111.035 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -68.1 -18.55 64.68 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 117.03 -1.462 . . . . 0.0 112.163 -173.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -80.24 -32.23 38.4 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 119.686 1.13 . . . . 0.0 113.121 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.17 -18.68 16.8 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 117.595 -1.193 . . . . 0.0 112.035 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.47 -34.78 6.42 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.839 1.199 . . . . 0.0 111.937 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.19 -49.05 2.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 120.74 1.609 . . . . 0.0 110.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.19 -162.17 0.89 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.08 56.23 0.89 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 121.173 1.806 . . . . 0.0 109.774 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.2 73.87 0.03 OUTLIER Glycine 0 C--N 1.351 1.376 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 55' ' ' LYS . 2.3 m -111.02 169.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 118.83 1.315 . . . . 0.0 108.626 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.59 135.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.21 127.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.81 93.11 2.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.561 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -30.31 112.11 0.04 OUTLIER Glycine 0 C--N 1.358 1.756 0 CA-C-O 115.71 -2.717 . . . . 0.0 111.782 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 74.6 m 120.82 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.12 1.46 . . . . 0.0 108.837 -167.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.42 162.86 32.48 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.041 -1.422 . . . . 0.0 110.575 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.2 t -136.41 117.15 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.847 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -85.88 158.06 20.03 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.309 . . -150.31 127.21 11.08 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.294 -1.336 . . . . 0.0 109.11 178.151 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -147.37 151.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-N 119.963 1.256 . . . . 0.0 108.594 -169.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -124.15 70.59 1.1 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -33.22 -95.79 0.01 OUTLIER Glycine 0 C--N 1.362 2.015 0 O-C-N 125.246 1.591 . . . . 0.0 114.242 -168.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -101.37 -26.04 13.74 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.643 1.221 . . . . 0.0 111.651 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -64.78 -4.65 4.57 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 120.483 1.492 . . . . 0.0 113.022 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -32.98 -39.91 0.05 OUTLIER 'General case' 0 C--N 1.351 0.649 0 CA-C-N 121.216 1.825 . . . . 0.0 113.989 166.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.35 -50.66 72.24 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 120.741 1.61 . . . . 0.0 109.381 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -61.69 -41.81 98.08 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 119.045 -0.503 . . . . 0.0 112.025 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.56 -47.66 31.41 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.133 -174.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -48.03 -36.43 12.86 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.81 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -61.96 -46.83 87.54 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.908 1.685 . . . . 0.0 109.14 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.71 -40.89 96.64 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.6 mtt -66.53 -36.33 82.43 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.64 -44.91 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.94 -50.13 71.6 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.588 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.74 -61.44 1.25 Allowed 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.761 1.619 . . . . 0.0 111.209 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.1 -44.07 98.56 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.855 -173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -60.78 -31.64 70.99 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.389 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--N 1.352 0.702 0 CA-C-O 117.701 -1.143 . . . . 0.0 111.448 178.022 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.65 -41.34 89.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 115.738 -2.077 . . . . 0.0 111.752 174.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.45 -34.58 9.36 Favored 'Trans proline' 0 C--N 1.353 0.804 0 CA-C-N 123.798 2.392 . . . . 0.0 111.486 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -31.12 71.11 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.474 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -64.94 -67.15 0.46 Allowed 'General case' 0 C--N 1.356 0.88 0 CA-C-O 115.305 -2.283 . . . . 0.0 105.86 -177.254 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -42.05 -37.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.339 0 CA-C-N 122.107 2.23 . . . . 0.0 111.36 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.48 91.29 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.105 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.91 -13.83 0.12 Allowed 'General case' 0 C--N 1.359 0.978 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CD1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -145.85 -48.17 0.21 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-N 121.602 2.001 . . . . 0.0 111.503 177.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.31 -26.3 74.4 Favored Glycine 0 C--N 1.359 1.828 0 CA-C-O 117.552 -1.694 . . . . 0.0 112.567 170.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.5 0.63 68.28 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 119.624 1.712 . . . . 0.0 112.444 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -71.53 85.95 0.87 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 172.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.09 78.6 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.052 0.842 . . . . 0.0 110.091 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -42.92 -29.62 0.34 Allowed 'General case' 0 C--N 1.358 0.962 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -13.98 155.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.695 1 N-CA-C 122.33 4.196 . . . . 0.0 122.33 174.093 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -54.45 2.52 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 117.056 -1.45 . . . . 0.0 111.271 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -151.38 109.09 3.65 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 121.959 2.163 . . . . 0.0 112.669 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.02 162.38 15.95 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.661 1.118 . . . . 0.0 108.084 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.75 68.0 1.44 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.34 146.26 48.73 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.394 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.97 166.43 21.61 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.674 1.124 . . . . 0.0 111.427 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.276 0.1 OUTLIER -24.99 -66.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -173.208 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 p -133.85 35.57 3.33 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -154.26 111.0 3.33 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.932 -1.509 . . . . 0.0 109.035 -170.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.373 3.2 pp -115.34 -178.41 3.37 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.778 1.172 . . . . 0.0 108.398 178.045 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -158.87 155.44 27.77 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 114.834 -2.507 . . . . 0.0 106.995 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.58 64.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 121.898 2.135 . . . . 0.0 111.245 -171.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -69.1 98.06 0.95 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 117.373 -1.299 . . . . 0.0 112.003 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.4 170.82 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.141 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.089 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.92 4.27 15.74 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 116.356 -1.783 . . . . 0.0 112.996 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.46 58.94 0.78 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.555 2.434 . . . . 0.0 109.601 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -93.13 -4.52 10.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.093 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.2 t -31.72 -51.75 0.22 Allowed 'General case' 0 C--N 1.362 1.115 0 CA-C-N 119.989 1.268 . . . . 0.0 112.974 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 26.01 0.78 Allowed 'General case' 0 C--N 1.354 0.768 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 23' ' ' PHE . 13.4 p -57.19 152.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.946 -174.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -102.89 64.21 0.85 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -70.44 -45.1 66.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -33.82 1.76 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.053 0.846 . . . . 0.0 110.726 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -49.23 5.2 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.03 -15.01 41.35 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.3 1.55 . . . . 0.0 112.452 -170.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -45.2 17.99 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -88.8 -35.33 16.69 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.717 1.261 . . . . 0.0 110.674 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.5 tm? -89.1 -44.57 10.24 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.388 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.47 -56.25 3.03 Favored Glycine 0 C--N 1.351 1.391 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.48 -151.69 0.45 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.61 40.54 2.2 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.295 1.407 . . . . 0.0 109.77 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.02 107.92 0.86 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.276 -1.847 . . . . 0.0 109.041 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.71 171.86 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-N 119.464 1.632 . . . . 0.0 106.631 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.17 134.39 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.71 127.22 62.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -138.84 90.69 2.46 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.87 -1.538 . . . . 0.0 107.993 -176.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -29.0 112.46 0.03 OUTLIER Glycine 0 C--N 1.358 1.802 0 CA-C-O 116.094 -2.503 . . . . 0.0 111.858 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 36.4 t 117.35 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.012 1.406 . . . . 0.0 109.508 -167.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.24 163.31 31.31 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.817 -1.546 . . . . 0.0 110.848 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -138.68 135.2 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -108.57 152.39 24.83 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 114.025 -2.893 . . . . 0.0 107.085 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -142.09 126.51 17.72 Favored 'General case' 0 C--N 1.363 1.182 0 CA-C-N 122.229 2.286 . . . . 0.0 112.001 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.3 125.47 67.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.303 1.865 . . . . 0.0 109.378 -169.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CE1' HD23 ' A' ' 39' ' ' LEU . 1.1 p90 -116.04 50.04 1.06 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.76 165.93 19.14 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 m 82.74 -42.66 0.12 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.947 1.373 . . . . 0.0 109.66 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.78 55.25 1.0 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.039 1.29 . . . . 0.0 110.579 174.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -55.08 22.86 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.72 -41.1 69.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.273 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -61.12 -44.52 97.22 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.862 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -67.44 0.44 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -31.74 0.51 Allowed 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.255 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -64.4 -69.37 0.29 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.766 1.166 . . . . 0.0 109.43 174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.4 -34.58 58.27 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 118.984 0.811 . . . . 0.0 110.657 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.456 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 42.6 mtp -63.24 -45.89 89.5 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.514 1.052 . . . . 0.0 108.9 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -48.2 -47.07 35.7 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.68 -42.82 93.8 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.696 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 84' ' ' MET . 6.0 m-30 -56.34 -49.78 73.38 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.54 1.063 . . . . 0.0 110.239 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.66 -42.1 94.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -64.7 -28.46 69.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.494 0.588 . . . . 0.0 111.233 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.0 t30 . . . . . 0 C--N 1.353 0.747 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.181 175.508 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 C--O 1.217 -0.655 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -55.75 -41.75 92.53 Favored Pre-proline 0 C--N 1.354 0.783 0 CA-C-N 122.224 2.284 . . . . 0.0 111.022 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 11.5 Cg_endo -70.82 -50.28 0.36 Allowed 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-N 123.726 2.366 . . . . 0.0 111.75 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.58 86.43 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.561 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -67.15 0.5 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -175.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.46 -33.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.092 0 CA-C-N 120.873 1.669 . . . . 0.0 110.774 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.35 92.64 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 120.126 -0.629 . . . . 0.0 111.146 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.77 -22.47 2.15 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -132.29 -49.15 0.92 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.969 1.713 . . . . 0.0 110.901 176.12 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.97 -20.47 78.9 Favored Glycine 0 C--N 1.359 1.84 0 CA-C-O 117.55 -1.695 . . . . 0.0 113.113 173.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.41 13.54 66.99 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 119.751 1.776 . . . . 0.0 111.54 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.31 57.42 1.22 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 102.859 -3.015 . . . . 0.0 102.859 173.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.02 -23.91 15.15 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.097 -174.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -55.93 -9.47 0.59 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.79 153.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.8 p -70.61 -50.7 34.28 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-O 116.501 -1.714 . . . . 0.0 111.445 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -135.27 146.6 48.71 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 121.931 2.15 . . . . 0.0 113.071 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.15 164.2 19.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.06 70.64 1.2 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.76 153.19 37.15 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.014 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -168.09 -178.92 3.88 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.621 0.646 . . . . 0.0 111.273 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -36.46 -54.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -144.21 42.69 1.41 Allowed 'General case' 0 C--N 1.35 0.598 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -138.94 142.4 38.44 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.672 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.8 OUTLIER -149.42 122.92 9.1 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 114.249 -2.786 . . . . 0.0 108.89 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.94 151.89 46.36 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 120.646 1.566 . . . . 0.0 108.914 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.56 90.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 -175.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.52 122.3 33.23 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 120.179 1.354 . . . . 0.0 109.674 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -158.35 165.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 119.421 1.01 . . . . 0.0 109.556 -166.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.77 -56.75 18.14 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.157 -1.402 . . . . 0.0 110.815 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -21.12 -101.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.153 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER 49.05 17.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.04 0 CA-C-N 122.722 2.51 . . . . 0.0 113.557 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 t -138.92 -76.64 0.36 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.205 0.911 . . . . 0.0 108.862 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -21.15 62.9 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.468 1.031 . . . . 0.0 111.411 175.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' A' ' 23' ' ' PHE . 12.1 p -51.11 150.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.894 -175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -98.2 50.52 1.01 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 118.507 0.594 . . . . 0.0 110.774 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.509 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 6.4 mt-30 -64.92 -38.62 91.58 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -37.22 -38.79 0.23 Allowed 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.629 -0.701 . . . . 0.0 112.089 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -41.73 6.02 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 118.581 -1.122 . . . . 0.0 111.241 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -64.0 -18.66 64.52 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.66 1.73 . . . . 0.0 111.658 -174.574 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -39.25 34.9 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -8.77 21.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.416 -1.278 . . . . 0.0 112.634 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.52 -38.02 5.05 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.283 1.401 . . . . 0.0 111.484 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.95 -67.43 1.17 Allowed Glycine 0 C--N 1.356 1.675 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.42 -165.19 1.23 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -142.8 63.12 1.39 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.158 1.345 . . . . 0.0 107.981 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.7 93.94 0.88 Allowed Glycine 0 C--N 1.351 1.371 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.07 169.78 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 119.261 1.531 . . . . 0.0 108.571 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -133.45 145.04 34.37 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.29 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 -177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.31 97.42 3.29 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 116.489 -1.719 . . . . 0.0 107.956 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.38 112.05 0.06 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 116.205 -2.442 . . . . 0.0 111.491 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 71.2 m 114.54 -16.36 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-N 119.203 1.501 . . . . 0.0 109.803 -167.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.63 174.74 45.12 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 120.938 1.699 . . . . 0.0 111.503 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -152.99 108.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 118.622 1.211 . . . . 0.0 107.982 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.69 147.49 24.49 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-O 116.611 -1.661 . . . . 0.0 107.591 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.257 . . -132.12 146.26 51.92 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.77 149.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-O 115.481 -2.199 . . . . 0.0 107.547 -169.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 60' ' ' ALA 0.253 4.5 p90 -138.23 48.87 1.95 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.598 1.999 . . . . 0.0 113.014 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.91 13.25 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-O 118.337 -1.257 . . . . 0.0 110.958 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.445 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 35.2 p -74.04 90.43 1.99 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.787 1.294 . . . . 0.0 108.604 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 84.98 30.78 0.05 OUTLIER 'General case' 0 C--N 1.358 0.957 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.125 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -56.14 1.55 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -53.65 -43.32 68.68 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.387 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 118.921 0.782 . . . . 0.0 111.413 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 3.6 mm? -69.29 -46.47 67.12 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -177.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -58.16 -31.51 67.31 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.589 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -62.86 -44.51 95.93 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.685 1.129 . . . . 0.0 108.726 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.46 -39.02 89.35 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.397 0.999 . . . . 0.0 108.972 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.59 -42.26 87.24 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.159 0.891 . . . . 0.0 108.813 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -50.09 -53.23 28.68 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -48.13 -49.28 32.7 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.054 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -46.63 -62.97 1.14 Allowed 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.709 1.14 . . . . 0.0 110.284 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.56 -45.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.608 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -62.27 -31.67 72.29 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.217 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 C--N 1.353 0.748 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.08 177.496 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 77.4 mtp . . . . . 0 CA--C 1.509 -0.632 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB1' ' CE1' ' A' ' 87' ' ' TYR . . . -54.43 -41.61 90.09 Favored Pre-proline 0 C--N 1.352 0.701 0 CA-C-O 116.025 -1.941 . . . . 0.0 111.436 177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 38.9 Cg_endo -72.93 -30.21 11.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 CA-C-N 124.779 2.742 . . . . 0.0 112.239 172.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.33 71.23 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.415 1.461 . . . . 0.0 108.977 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.07 -66.57 0.48 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.23 -1.843 . . . . 0.0 109.008 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.3 p -46.19 -36.61 2.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 122.093 2.224 . . . . 0.0 110.118 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.03 86.0 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 119.204 -0.998 . . . . 0.0 111.481 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -22.4 31.14 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -133.35 -46.02 0.83 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.934 1.697 . . . . 0.0 110.366 175.184 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.94 -22.65 78.71 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 117.436 -1.758 . . . . 0.0 113.907 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.14 9.79 72.18 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-N 120.191 1.996 . . . . 0.0 112.275 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -82.16 79.22 8.71 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -34.34 67.99 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.062 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -45.17 -28.52 0.77 Allowed 'General case' 0 C--N 1.357 0.907 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -12.94 151.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 121.517 3.895 . . . . 0.0 121.517 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 p -104.03 -61.77 1.4 Allowed 'General case' 0 C--N 1.364 1.217 0 CA-C-O 118.232 -0.889 . . . . 0.0 111.478 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -143.39 104.5 4.25 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.5 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.71 163.7 13.03 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 119.895 1.225 . . . . 0.0 109.046 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.26 69.08 1.48 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 144.67 56.93 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.931 -1.509 . . . . 0.0 110.88 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -163.34 169.11 19.52 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 120.347 1.43 . . . . 0.0 112.292 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.293 0.0 OUTLIER -26.19 -69.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -174.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -131.2 35.49 3.9 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -150.51 102.9 3.08 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 117.724 -1.131 . . . . 0.0 108.762 -173.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.597 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 4.3 pp -120.2 142.28 49.14 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 115.146 -2.359 . . . . 0.0 107.244 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -123.13 167.54 13.56 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 114.86 -2.495 . . . . 0.0 109.087 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.42 57.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.244 0 CA-C-N 121.647 2.021 . . . . 0.0 115.259 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -71.89 88.69 1.05 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.97 152.72 15.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.993 -174.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.01 -6.95 59.69 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.499 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.98 68.34 0.16 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.058 1.754 . . . . 0.0 108.379 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.89 30.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.049 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 t -72.77 -85.02 0.03 OUTLIER 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.659 -1.162 . . . . 0.0 109.895 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.89 5.06 49.43 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.899 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 23' ' ' PHE . 12.3 p -40.91 141.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.781 -171.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.2 p30 -95.19 53.17 1.5 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.8 1.182 . . . . 0.0 108.275 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 22.0 mt-30 -63.37 -44.99 93.19 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.03 -32.47 1.69 Allowed 'General case' 0 C--N 1.348 0.527 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.426 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.35 -44.2 4.41 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-O 118.412 -1.215 . . . . 0.0 111.757 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -60.61 -24.1 65.23 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.069 1.934 . . . . 0.0 110.594 -175.136 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -47.37 63.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -90.4 -38.87 13.02 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -38.61 15.84 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.612 -175.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.3 -52.21 3.66 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 121.182 1.81 . . . . 0.0 109.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.26 -163.6 1.0 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.95 38.11 3.85 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.143 0.883 . . . . 0.0 109.244 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.89 114.32 1.21 Allowed Glycine 0 C--N 1.354 1.532 0 CA-C-O 117.089 -1.951 . . . . 0.0 109.697 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.68 175.39 11.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 119.255 1.527 . . . . 0.0 108.778 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.06 133.92 13.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.21 133.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -173.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -144.04 85.73 1.82 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.984 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -24.85 109.73 0.01 OUTLIER Glycine 0 C--N 1.358 1.761 0 CA-C-O 116.5 -2.278 . . . . 0.0 112.592 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 89.8 p 119.19 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.359 0.987 0 CA-C-N 118.742 1.271 . . . . 0.0 108.679 -165.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.11 168.8 41.18 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.473 -1.181 . . . . 0.0 111.419 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.0 t -137.31 143.12 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 132.92 49.59 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 114.774 -2.536 . . . . 0.0 107.195 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -133.04 143.99 49.75 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.725 1.602 . . . . 0.0 108.899 -169.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.12 135.51 47.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 CA-C-O 116.265 -1.826 . . . . 0.0 107.828 -172.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 38' ' ' ARG . 3.7 p90 -127.03 55.78 1.55 Allowed 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.16 -141.72 9.8 Favored Glycine 0 C--N 1.358 1.767 0 CA-C-O 116.808 -2.106 . . . . 0.0 108.011 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t 36.5 -113.18 0.09 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-N 118.976 1.388 . . . . 0.0 110.986 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.98 62.01 0.11 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.355 1.434 . . . . 0.0 108.419 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 p -72.49 -52.57 15.2 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 119.361 -2.087 . . . . 0.0 106.951 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.045 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.4 -42.26 71.92 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.976 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.45 -30.73 66.37 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.498 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -78.17 -29.1 48.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.961 1.255 . . . . 0.0 109.144 174.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -62.0 -56.05 23.07 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.211 1.369 . . . . 0.0 108.25 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -55.85 -39.02 70.85 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.392 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.8 mtm -62.44 -41.74 98.96 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 120.226 1.376 . . . . 0.0 107.577 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -51.84 -47.49 64.37 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.9 -40.61 85.0 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.663 -1.161 . . . . 0.0 110.193 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 10.1 m-30 -55.46 -46.03 76.86 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.139 1.336 . . . . 0.0 111.928 -175.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.92 -43.26 68.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -61.1 -31.01 70.7 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 C--N 1.354 0.766 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.759 177.785 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.7 mtp . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 117.432 -1.271 . . . . 0.0 113.448 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.79 -45.86 86.71 Favored Pre-proline 0 C--N 1.352 0.688 0 CA-C-N 120.937 1.699 . . . . 0.0 110.417 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HG3' ' CD1' ' A' ' 87' ' ' TYR . 77.4 Cg_endo -89.14 -22.25 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 123.096 2.141 . . . . 0.0 114.587 176.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.42 -35.51 12.91 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 121.521 1.964 . . . . 0.0 107.094 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.53 21.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.442 -1.266 . . . . 0.0 108.658 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -35.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 CA-C-N 120.554 1.525 . . . . 0.0 109.25 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.55 77.53 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.94 -32.18 1.53 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.08 -1.914 . . . . 0.0 112.866 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -125.99 -49.32 1.6 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.905 1.23 . . . . 0.0 110.604 177.529 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 5.54 43.28 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-O 116.505 -2.275 . . . . 0.0 113.351 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.79 -4.84 48.46 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 121.018 2.409 . . . . 0.0 113.268 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 81.11 7.99 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 121.195 2.498 . . . . 0.0 104.64 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -47.54 -29.84 3.12 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.244 1.383 . . . . 0.0 110.267 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ILE . 43.9 t30 -44.95 -21.93 0.07 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-O 116.642 -1.647 . . . . 0.0 114.491 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.1 mp -6.6 149.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 119.762 3.245 . . . . 0.0 119.762 169.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.4 -52.23 2.73 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.951 -1.499 . . . . 0.0 110.371 -174.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.15 109.73 3.82 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-N 122.08 2.218 . . . . 0.0 111.531 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -109.9 170.25 8.19 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.836 1.198 . . . . 0.0 108.7 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.57 71.79 1.4 Allowed 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 148.47 42.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.577 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.69 173.4 11.93 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.956 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -33.38 -57.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 37' ' ' THR 0.286 0.9 OUTLIER -146.74 45.2 1.19 Allowed 'General case' 0 C--N 1.345 0.387 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 179.575 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -146.65 136.23 23.02 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.616 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.2 pp -150.17 100.99 2.96 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.224 -1.846 . . . . 0.0 108.621 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -83.64 168.65 16.13 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 115.141 -2.362 . . . . 0.0 110.746 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.67 62.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.209 0 CA-C-N 122.363 2.347 . . . . 0.0 112.667 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m -75.31 117.02 16.66 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 112.325 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 m -147.85 163.98 6.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.181 0 CA-C-N 119.223 0.92 . . . . 0.0 110.691 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.1 40.55 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.643 -1.17 . . . . 0.0 110.747 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -44.61 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.63 -1.176 . . . . 0.0 113.864 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.298 0.7 OUTLIER 42.33 19.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.017 1.735 . . . . 0.0 114.519 -174.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 t -69.73 -45.84 67.28 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.027 1.285 . . . . 0.0 108.704 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 22.52 3.13 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.916 0.76 . . . . 0.0 111.295 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' CD2' ' A' ' 23' ' ' PHE . 6.5 p -65.04 156.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.468 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -103.7 66.13 0.85 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.956 0.798 . . . . 0.0 109.659 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -61.83 -41.33 97.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.695 1.134 . . . . 0.0 108.25 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.88 -31.78 0.54 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.139 0.881 . . . . 0.0 112.149 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.99 -45.42 4.17 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.717 171.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -31.71 72.21 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 120.835 2.317 . . . . 0.0 107.79 -171.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -50.02 73.75 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -92.14 -45.38 8.3 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 124.092 0.87 . . . . 0.0 109.911 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.01 -26.69 33.61 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.611 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.84 -67.06 0.97 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 121.128 1.785 . . . . 0.0 109.184 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.17 -148.14 0.33 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . . . -160.86 59.45 0.31 Allowed 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.463 1.938 . . . . 0.0 110.451 169.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.69 71.69 0.01 OUTLIER Glycine 0 C--N 1.352 1.429 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -108.86 174.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 118.576 1.188 . . . . 0.0 109.507 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.03 137.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.68 137.13 40.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -146.89 93.26 2.25 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.737 -1.601 . . . . 0.0 108.797 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.92 111.6 0.06 OUTLIER Glycine 0 C--N 1.358 1.792 0 CA-C-O 116.336 -2.369 . . . . 0.0 111.603 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 80.8 p 120.71 -24.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.022 0 CA-C-N 118.787 1.294 . . . . 0.0 109.591 -166.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.17 165.37 32.84 Favored Glycine 0 C--N 1.353 1.488 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.15 136.08 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 166.21 10.54 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.271 . . -159.75 115.42 2.44 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 121.285 1.857 . . . . 0.0 108.776 178.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.81 160.89 41.79 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 CA-C-O 117.61 -1.186 . . . . 0.0 108.173 -166.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 1.5 t80 -119.86 -54.67 2.13 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 118.477 -0.773 . . . . 0.0 112.442 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.19 -69.61 0.37 Allowed Glycine 0 C--N 1.358 1.774 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 m -162.34 -49.56 0.04 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.381 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -61.53 8.53 0.04 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.205 -1.855 . . . . 0.0 113.083 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 10.8 t -48.53 -49.47 35.99 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 124.195 3.18 . . . . 0.0 110.144 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -48.37 -40.18 24.77 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.403 1.001 . . . . 0.0 111.076 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -61.92 -48.14 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.246 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -50.16 15.27 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -48.22 -35.38 11.8 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.89 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -58.77 -44.19 90.56 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.816 1.189 . . . . 0.0 109.635 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -53.98 -36.41 62.88 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 109.144 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.79 -47.99 70.4 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -45.59 -51.62 11.76 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.359 0.982 . . . . 0.0 109.289 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.87 -48.53 31.19 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.227 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.481 ' CD1' ' HG3' ' A' ' 17' ' ' PRO . 9.4 t80 -51.81 -50.52 60.62 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 119.992 1.269 . . . . 0.0 113.453 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.2 mp -66.26 -41.38 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -63.39 -33.83 76.41 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.27 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 . . . . . 0 C--N 1.353 0.741 0 CA-C-O 117.907 -1.044 . . . . 0.0 111.663 177.821 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.6 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 116.82 -1.562 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.95 -43.93 85.11 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-N 121.994 2.179 . . . . 0.0 111.351 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 28.2 Cg_endo -74.09 -30.65 8.63 Favored 'Trans proline' 0 C--N 1.363 1.32 0 CA-C-N 123.662 2.344 . . . . 0.0 112.566 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.885 1.221 . . . . 0.0 108.818 171.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -65.37 -66.64 0.52 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 -177.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.8 p -43.96 -37.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.212 0 CA-C-N 121.446 1.93 . . . . 0.0 110.569 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.9 97.33 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -44.27 -28.56 0.54 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-O 115.252 -2.309 . . . . 0.0 114.61 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -129.58 -57.11 1.13 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.838 2.108 . . . . 0.0 110.033 179.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.64 -24.4 62.02 Favored Glycine 0 C--N 1.36 1.877 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.292 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.33 7.24 63.9 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 117.084 -1.953 . . . . 0.0 112.665 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -68.72 85.68 0.31 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -52.11 -27.02 12.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.852 1.205 . . . . 0.0 110.772 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -45.04 -27.65 0.59 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 116.959 -1.496 . . . . 0.0 112.653 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 4.59 123.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 168.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.19 -54.93 1.58 Allowed 'General case' 0 C--N 1.363 1.195 0 CA-C-O 116.691 -1.623 . . . . 0.0 112.473 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -142.83 94.74 2.67 Favored 'General case' 0 C--N 1.361 1.102 0 CA-C-N 122.663 2.483 . . . . 0.0 111.27 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -125.93 -170.68 2.23 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.62 1.554 . . . . 0.0 107.166 -165.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -158.96 93.78 1.18 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 121.085 1.766 . . . . 0.0 107.859 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 152.91 33.96 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.792 1.178 . . . . 0.0 110.783 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.89 173.82 7.94 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 119.386 0.994 . . . . 0.0 111.951 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.357 0.0 OUTLIER -33.67 -81.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -174.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.14 27.48 9.57 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -143.02 119.9 11.27 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.117 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.583 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.8 pp -141.67 120.41 12.63 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.795 -1.574 . . . . 0.0 107.678 176.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -101.57 165.22 11.35 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 115.571 -2.157 . . . . 0.0 109.139 -173.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' LEU . 2.4 t -146.17 73.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.261 0 CA-C-N 119.901 1.228 . . . . 0.0 113.006 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 113.51 12.55 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 121.831 2.105 . . . . 0.0 112.719 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.06 162.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 CA-C-N 120.605 1.548 . . . . 0.0 112.5 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -89.12 -17.91 28.28 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 116.539 -1.696 . . . . 0.0 111.374 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.36 76.37 0.01 OUTLIER 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.38 1.9 . . . . 0.0 109.263 169.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.4 p -100.97 61.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 104.478 -2.416 . . . . 0.0 104.478 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -130.9 99.65 4.99 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 118.604 -0.713 . . . . 0.0 109.447 -170.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.28 42.11 25.24 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG13 ' HG3' ' A' ' 51' ' ' GLN . 1.4 p -80.75 -13.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-O 117.266 -1.35 . . . . 0.0 108.289 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.99 56.91 6.49 Favored 'General case' 0 C--N 1.36 1.042 0 CA-C-N 120.861 1.664 . . . . 0.0 107.792 174.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HG3' HG13 ' A' ' 49' ' ' VAL . 23.7 mt-30 -76.33 -42.98 43.15 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -25.53 39.47 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.208 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -43.13 7.76 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.195 169.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -69.37 -13.93 62.64 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.108 -170.184 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -44.96 28.53 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 120.204 1.365 . . . . 0.0 112.414 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -88.56 -39.74 13.9 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 124.264 0.978 . . . . 0.0 110.303 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.82 -36.62 14.12 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.529 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.6 -45.46 5.2 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 119.289 0.95 . . . . 0.0 112.012 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.81 -150.26 0.44 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.713 -1.613 . . . . 0.0 106.818 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.24 58.5 0.58 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.061 1.755 . . . . 0.0 108.308 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 85.72 0.14 Allowed Glycine 0 C--N 1.355 1.617 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.0 175.03 4.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 119.304 1.552 . . . . 0.0 107.202 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.04 127.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.25 139.44 23.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 117.406 -1.283 . . . . 0.0 108.042 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -149.16 87.28 1.52 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.824 -176.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -27.62 115.85 0.04 OUTLIER Glycine 0 C--N 1.358 1.75 0 CA-C-O 116.012 -2.549 . . . . 0.0 112.852 -176.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 92.4 p 112.03 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.048 0 CA-C-N 119.149 1.474 . . . . 0.0 108.739 -165.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.7 171.63 38.35 Favored Glycine 0 C--N 1.352 1.455 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.6 t -148.19 151.53 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -116.0 179.36 4.01 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 177.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.332 . . -159.71 127.03 4.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.165 -0.922 . . . . 0.0 109.269 175.163 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.63 152.87 13.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -168.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.76 71.32 0.79 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.23 -81.08 0.02 OUTLIER Glycine 0 C--N 1.354 1.56 0 CA-C-O 118.596 -1.114 . . . . 0.0 113.93 -168.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -126.28 34.0 4.92 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.029 0.914 . . . . 0.0 110.589 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.47 49.67 1.41 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -41.38 20.42 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.526 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.25 -48.4 80.1 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.508 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.52 -50.58 72.13 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.042 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -44.28 80.41 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.269 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.73 -39.48 65.31 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.962 1.255 . . . . 0.0 111.014 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 p -67.35 -62.02 1.63 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -53.89 -34.02 58.23 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.459 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.6 mtp -62.32 -47.42 84.32 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.574 1.988 . . . . 0.0 106.732 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.18 -48.98 44.66 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.15 -40.71 64.48 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.546 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -64.06 -48.66 75.36 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.571 1.078 . . . . 0.0 110.37 -173.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.0 -42.85 95.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.57 -33.7 73.08 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.581 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.5 t30 . . . . . 0 C--N 1.354 0.786 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.911 177.522 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.481 ' C ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 mtt . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 115.838 -2.03 . . . . 0.0 112.994 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.549 ' HB3' ' CD2' ' A' ' 87' ' ' TYR . . . -54.53 -29.14 4.69 Favored Pre-proline 0 C--N 1.35 0.628 0 CA-C-N 124.021 3.1 . . . . 0.0 115.021 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' C ' ' A' ' 15' ' ' MET . 88.0 Cg_endo -86.82 -41.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.237 0 CA-C-N 125.202 2.894 . . . . 0.0 110.942 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.35 85.22 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.977 1.262 . . . . 0.0 109.204 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -59.33 2.95 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -174.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -48.08 -35.8 5.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 CA-C-N 120.654 1.57 . . . . 0.0 109.203 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -38.28 90.49 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.18 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.71 -21.15 3.72 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.452 -1.737 . . . . 0.0 115.26 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.515 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -133.4 -55.88 0.9 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.185 1.811 . . . . 0.0 109.343 177.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 -24.34 72.52 Favored Glycine 0 C--N 1.361 1.924 0 CA-C-O 117.399 -1.779 . . . . 0.0 112.889 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.99 11.15 71.25 Favored Glycine 0 C--N 1.358 1.759 0 CA-C-N 119.641 1.721 . . . . 0.0 111.778 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.4 74.32 9.98 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 101.705 -3.443 . . . . 0.0 101.705 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.58 -30.28 53.9 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 119.391 -0.923 . . . . 0.0 109.976 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.58 -18.66 0.46 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.827 -1.082 . . . . 0.0 113.816 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -35.89 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.4 -59.73 2.44 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -131.21 148.91 52.76 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.762 1.165 . . . . 0.0 112.311 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -152.18 135.43 15.87 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -120.07 69.85 0.86 Allowed 'General case' 0 C--N 1.357 0.893 0 CA-C-N 121.893 2.133 . . . . 0.0 107.067 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.06 146.62 49.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.368 -1.301 . . . . 0.0 110.699 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.36 172.39 12.33 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 119.689 1.131 . . . . 0.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -32.06 -68.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.7 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.9 p -130.97 41.83 3.31 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.11 121.55 6.31 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 115.73 -2.081 . . . . 0.0 108.68 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.362 3.4 pp -116.78 -179.99 3.85 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.042 2.201 . . . . 0.0 108.984 169.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.67 161.11 43.01 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.698 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 23' ' ' PHE . 1.9 t -144.45 72.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-N 121.939 2.154 . . . . 0.0 109.073 -178.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -71.16 110.78 6.03 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.287 -1.34 . . . . 0.0 112.926 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -148.78 164.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 118.977 0.808 . . . . 0.0 112.754 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.04 -38.82 52.0 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.601 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.253 10.3 t70 -33.74 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 CA-C-O 116.819 -1.562 . . . . 0.0 113.798 -174.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.284 0.8 OUTLIER 43.36 13.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-N 122.08 2.218 . . . . 0.0 116.279 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 t -112.4 10.29 19.81 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 120.272 1.396 . . . . 0.0 111.686 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -172.77 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.855 -178.346 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' LYS . 2.1 p -30.0 136.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.154 170.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.89 64.46 8.65 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 16.9 mt-30 -65.04 -42.31 94.43 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -175.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -32.85 3.23 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.284 0.99 . . . . 0.0 111.995 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.67 -40.5 6.74 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.525 -1.153 . . . . 0.0 110.846 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.515 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.79 -19.6 65.95 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 120.202 2.001 . . . . 0.0 109.433 -173.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -46.24 57.82 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -91.05 -44.62 9.19 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -89.32 -30.47 18.41 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.453 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.27 -36.66 5.61 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.178 -1.346 . . . . 0.0 113.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . -125.22 -150.57 0.45 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.91 56.4 0.31 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 122.312 2.323 . . . . 0.0 110.142 173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.08 76.84 0.05 OUTLIER Glycine 0 C--N 1.355 1.608 0 CA-C-O 117.522 -1.71 . . . . 0.0 109.099 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -112.69 173.17 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.964 0 CA-C-N 119.5 1.65 . . . . 0.0 108.234 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.45 137.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.1 131.22 61.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.91 84.82 1.85 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 116.714 -1.612 . . . . 0.0 108.562 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -25.0 108.78 0.01 OUTLIER Glycine 0 C--N 1.36 1.887 0 CA-C-O 115.97 -2.572 . . . . 0.0 111.968 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 70.3 m 123.59 -31.3 0.01 OUTLIER 'General case' 0 C--N 1.361 1.083 0 CA-C-N 118.854 1.327 . . . . 0.0 108.444 -165.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.44 166.31 39.02 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 117.761 -1.577 . . . . 0.0 109.984 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -144.97 128.64 11.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -102.18 153.02 20.34 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 113.963 -2.922 . . . . 0.0 106.942 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.98 96.53 3.02 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.475 2.398 . . . . 0.0 111.822 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -110.15 158.56 10.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.408 -1.282 . . . . 0.0 110.562 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.34 -59.44 1.89 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 124.86 1.35 . . . . 0.0 109.446 172.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.79 70.06 1.17 Allowed Glycine 0 C--N 1.359 1.837 0 CA-C-O 117.394 -1.781 . . . . 0.0 110.482 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 m 61.5 -60.44 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 118.651 1.225 . . . . 0.0 113.702 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 77' ' ' SER . 14.8 ptmm? -44.22 -19.37 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 CA-C-O 116.351 -1.785 . . . . 0.0 111.463 174.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' LYS . 1.4 t -27.98 -56.86 0.11 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-O 116.982 -1.485 . . . . 0.0 108.819 166.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.3 -51.39 45.57 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 120.004 1.275 . . . . 0.0 111.211 -173.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -51.12 -47.09 62.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.681 1.128 . . . . 0.0 110.336 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.75 -57.31 11.38 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -58.82 -33.58 70.56 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 120.895 -1.128 . . . . 0.0 109.881 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 p -68.41 -50.28 53.98 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -57.0 -35.55 69.35 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' ASP . 35.9 mtp -63.8 -53.32 52.6 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.442 178.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' MET . 19.0 t70 -41.72 -56.32 2.69 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -176.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.1 -54.2 39.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.848 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 9.8 m-85 -51.12 -50.83 58.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.454 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.31 -45.8 92.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 120.578 1.535 . . . . 0.0 107.595 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -59.63 -32.99 70.94 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.926 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 t30 . . . . . 0 C--N 1.354 0.801 0 CA-C-O 117.909 -1.043 . . . . 0.0 111.502 177.857 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 CA--C 1.506 -0.712 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -50.52 -42.4 75.14 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 115.857 -2.021 . . . . 0.0 110.338 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 6.5 Cg_endo -76.64 -38.12 1.06 Allowed 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 123.785 2.388 . . . . 0.0 113.193 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.95 -33.05 16.41 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -73.17 0.12 Allowed 'General case' 0 C--N 1.357 0.92 0 CA-C-O 115.237 -2.316 . . . . 0.0 106.953 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' GLY . 12.6 p -40.0 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.412 0 CA-C-N 122.335 2.334 . . . . 0.0 111.542 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.07 80.02 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.97 1.259 . . . . 0.0 111.719 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.5 33.35 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.672 1.124 . . . . 0.0 112.601 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.735 ' HB3' HD13 ' A' ' 54' ' ' LEU 0.317 2.6 t80 -116.06 13.23 15.8 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.128 0.893 . . . . 0.0 113.075 177.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -147.54 25.25 1.52 Allowed Glycine 0 C--N 1.358 1.756 0 CA-C-O 118.055 -1.414 . . . . 0.0 113.549 170.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.29 52.67 0.53 Allowed Glycine 0 C--N 1.354 1.573 0 N-CA-C 106.42 -2.672 . . . . 0.0 106.42 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -117.19 72.13 0.82 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 102.229 -3.248 . . . . 0.0 102.229 -176.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -34.73 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.628 1.104 . . . . 0.0 113.354 -175.152 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' LYS . 60.2 t30 -50.41 -15.93 0.3 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -10.53 142.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 171.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.18 -58.12 1.07 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 117.063 -1.446 . . . . 0.0 112.309 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.41 ' C ' HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -135.93 118.89 16.32 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 122.355 2.343 . . . . 0.0 109.859 -178.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -137.33 -178.54 5.26 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.321 1.419 . . . . 0.0 108.033 -171.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.76 78.92 1.0 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.271 0.941 . . . . 0.0 108.823 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.97 152.56 44.3 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.123 -1.417 . . . . 0.0 111.44 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.36 177.11 2.29 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.78 1.173 . . . . 0.0 113.105 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -32.91 -65.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.105 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -171.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.481 ' HA ' ' CE1' ' A' ' 73' ' ' PHE . 70.3 m -134.78 35.32 3.13 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -142.4 116.5 9.43 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.293 3.9 pp -132.81 133.81 43.86 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.933 -1.508 . . . . 0.0 110.231 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.52 170.59 8.45 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.004 1.729 . . . . 0.0 110.322 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.18 86.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.6 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 t -93.55 101.67 13.85 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 116.222 -1.847 . . . . 0.0 111.13 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.3 166.54 17.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-N 119.833 1.197 . . . . 0.0 113.892 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.5 -4.13 58.67 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.203 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 61.31 0.28 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.472 1.942 . . . . 0.0 108.946 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.64 17.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 172.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -57.27 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.694 1.134 . . . . 0.0 111.387 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -108.16 10.06 28.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.162 174.417 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG21 ' CD1' ' A' ' 23' ' ' PHE . 7.4 p -33.85 138.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.921 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -98.72 49.85 0.97 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.897 1.226 . . . . 0.0 108.721 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -42.32 76.39 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.86 -33.22 48.84 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.733 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -42.47 8.69 Favored Glycine 0 C--N 1.353 1.509 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -61.74 -26.53 68.13 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 119.34 1.57 . . . . 0.0 111.881 -167.025 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' CB ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -66.56 -43.79 84.08 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 119.856 1.207 . . . . 0.0 112.27 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -98.29 -7.2 29.5 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.809 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -116.54 -25.59 7.37 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.444 -1.741 . . . . 0.0 111.959 179.69 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.27 -48.54 0.7 Allowed Glycine 0 C--N 1.358 1.754 0 CA-C-N 123.464 2.847 . . . . 0.0 111.98 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.5 -153.37 0.51 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.83 46.46 1.87 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.237 1.835 . . . . 0.0 109.638 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 123.29 2.12 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.689 HG13 ' CB ' ' A' ' 55' ' ' LYS . 1.5 m -139.29 167.03 20.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 120.085 1.943 . . . . 0.0 106.978 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 m -133.69 140.71 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.0 t -115.44 119.35 61.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.58 113.49 16.16 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 115.916 -1.992 . . . . 0.0 107.154 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 67' ' ' SER . . . -47.27 116.24 2.51 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 123.101 2.682 . . . . 0.0 110.247 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 78.4 p 122.99 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.318 1.559 . . . . 0.0 108.963 -169.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 161.0 26.45 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.458 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -130.74 154.53 40.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -139.25 114.82 9.9 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 115.645 -2.122 . . . . 0.0 107.847 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.51 156.45 17.28 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.773 1.629 . . . . 0.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.65 140.52 19.04 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 113.811 -2.995 . . . . 0.0 106.76 -177.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 37' ' ' THR 0.335 11.5 p90 -125.62 37.86 4.28 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 123.425 2.83 . . . . 0.0 110.945 -177.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.29 56.67 0.47 Allowed Glycine 0 C--N 1.36 1.912 0 O-C-N 124.153 0.908 . . . . 0.0 111.538 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . 0.288 54.4 m -148.98 -43.18 0.15 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 124.778 0.928 . . . . 0.0 108.611 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 54.23 1.95 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.222 1.374 . . . . 0.0 109.365 165.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.7 p -51.25 -44.56 61.76 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.712 -1.868 . . . . 0.0 110.109 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.02 -41.75 99.61 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.052 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.12 -39.62 75.35 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.397 0.999 . . . . 0.0 109.227 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.49 -24.82 60.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.055 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -77.54 -37.44 50.83 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 173.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -55.37 -59.45 4.78 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.073 1.306 . . . . 0.0 109.569 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 57' ' ' LEU . 12.7 pt-20 -53.08 -32.64 48.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.001 -1.08 . . . . 0.0 112.36 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.0 mtp -71.1 -47.0 60.67 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -43.63 -50.02 7.5 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.9 -43.79 49.74 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.106 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.407 ' CZ ' HG13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -55.93 -51.52 67.37 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.702 1.592 . . . . 0.0 111.543 -177.327 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.407 HG13 ' CZ ' ' A' ' 87' ' ' TYR . 2.3 mp -64.52 -43.5 96.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.72 -33.22 74.68 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.661 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 t30 . . . . . 0 C--N 1.354 0.798 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.039 177.883 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptp . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.46 80.61 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 116.457 -1.735 . . . . 0.0 108.062 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -89.22 -19.78 1.48 Allowed 'Trans proline' 0 C--N 1.362 1.289 0 CA-C-N 123.308 2.217 . . . . 0.0 114.922 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.85 -31.85 5.49 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.897 2.135 . . . . 0.0 107.501 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -65.08 0.66 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.594 174.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -45.36 -37.92 2.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 CA-C-N 123.044 2.656 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.79 92.22 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.27 -21.06 3.09 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 115.768 -2.063 . . . . 0.0 115.831 -176.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CD1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -130.37 -54.81 1.1 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.209 1.822 . . . . 0.0 110.473 176.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.3 78.62 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-O 118.504 -1.164 . . . . 0.0 111.603 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.54 4.73 83.99 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-O 117.599 -1.667 . . . . 0.0 113.228 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -74.0 81.46 1.71 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -34.9 50.57 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.333 -0.947 . . . . 0.0 111.033 -174.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -47.64 -29.66 3.14 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -23.05 155.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 119.851 3.278 . . . . 0.0 119.851 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.7 p -97.66 -63.73 1.1 Allowed 'General case' 0 C--N 1.362 1.135 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.896 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -147.88 121.6 9.25 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 120.58 1.536 . . . . 0.0 112.393 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.73 170.81 8.31 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 60.9 1.69 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.97 143.8 57.41 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.854 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -169.1 165.85 11.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 116.58 -1.676 . . . . 0.0 110.193 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.318 0.0 OUTLIER -10.1 -99.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.699 -1.62 . . . . 0.0 114.994 -177.743 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -101.97 17.14 23.92 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.562 1.983 . . . . 0.0 111.004 171.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 132.83 56.4 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.33 2.2 pp -141.3 167.17 22.82 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 175.138 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -152.5 161.55 42.43 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 113.783 -3.008 . . . . 0.0 107.211 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 23' ' ' PHE . 1.4 t -137.78 60.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.151 0 CA-C-N 123.372 2.805 . . . . 0.0 112.377 -174.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.0 p -72.0 88.83 1.09 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.8 163.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.322 -174.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -92.12 -12.03 34.08 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.185 -1.388 . . . . 0.0 111.347 173.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.8 79.55 0.02 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.793 1.633 . . . . 0.0 107.122 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 12.2 p -103.54 41.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 174.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 t -84.64 72.57 10.68 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 118.844 -0.598 . . . . 0.0 109.808 -172.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.82 54.72 4.59 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 49' ' ' VAL 0.3 0.2 OUTLIER -87.39 61.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -171.853 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' VAL . 42.8 p30 15.62 57.86 0.01 OUTLIER 'General case' 0 C--N 1.362 1.146 0 C-N-CA 123.643 0.777 . . . . 0.0 112.489 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -76.95 -41.3 43.78 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.7 23.72 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.998 173.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.6 -36.54 7.9 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 118.032 -1.427 . . . . 0.0 111.335 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.5 -11.79 60.31 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.731 1.765 . . . . 0.0 111.907 -172.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.648 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -82.5 -32.76 28.59 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 119.582 1.083 . . . . 0.0 113.289 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -100.14 -17.58 17.34 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.984 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -112.17 -26.91 8.57 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.367 0.985 . . . . 0.0 112.651 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.16 -41.84 2.73 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-N 120.881 1.673 . . . . 0.0 111.955 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.23 -150.54 0.45 Allowed 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -147.41 44.52 1.13 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 121.572 1.987 . . . . 0.0 108.102 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.19 107.94 1.11 Allowed Glycine 0 C--N 1.353 1.488 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -172.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.648 HG13 ' HB2' ' A' ' 55' ' ' LYS . 3.9 m -129.93 172.29 16.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.96 127.24 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.5 t -103.19 124.9 57.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -173.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -136.48 82.52 1.95 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.437 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -22.11 110.37 0.01 OUTLIER Glycine 0 C--N 1.359 1.829 0 CA-C-O 116.46 -2.3 . . . . 0.0 113.214 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 46.1 t 119.81 -33.3 0.01 OUTLIER 'General case' 0 C--N 1.359 1.008 0 CA-C-N 118.944 1.372 . . . . 0.0 107.864 -167.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.35 158.02 30.76 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-O 117.849 -1.528 . . . . 0.0 110.269 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.4 t -138.02 152.97 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.842 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 145.8 49.15 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 113.937 -2.935 . . . . 0.0 108.102 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -140.91 117.71 11.03 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 122.21 2.277 . . . . 0.0 111.825 -170.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.69 123.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-O 116.073 -1.918 . . . . 0.0 106.718 -168.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.264 0.0 OUTLIER -93.47 -11.98 30.8 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 121.212 1.824 . . . . 0.0 108.992 176.811 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.56 -163.41 7.73 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 121.061 1.755 . . . . 0.0 111.14 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 t -62.79 -29.38 70.67 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 118.913 -1.115 . . . . 0.0 110.017 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -54.31 -20.29 6.91 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.51 -1.71 . . . . 0.0 111.013 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.2 p -29.75 -41.51 0.03 OUTLIER 'General case' 0 C--N 1.361 1.106 0 CA-C-N 120.976 1.716 . . . . 0.0 115.5 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.65 -44.44 96.97 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.349 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -65.06 -34.18 77.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.797 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.8 -50.75 12.74 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -48.32 -46.91 37.01 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.497 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -49.09 -41.09 34.52 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.299 1.409 . . . . 0.0 111.076 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.21 -40.2 93.85 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.4 mtp -64.16 -50.66 67.3 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.928 0.785 . . . . 0.0 109.155 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -40.36 -43.45 1.76 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.718 0.69 . . . . 0.0 109.47 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.72 82.59 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.524 -1.227 . . . . 0.0 110.63 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -52.89 -50.54 63.68 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.869 1.668 . . . . 0.0 111.637 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 mp -70.97 -45.58 72.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -170.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -62.42 -32.77 73.66 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.066 177.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.2 t30 . . . . . 0 C--N 1.354 0.769 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.6 177.659 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.0 mtt . . . . . 0 CA--C 1.51 -0.579 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 87' ' ' TYR . . . -48.62 -42.83 59.53 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 115.429 -2.224 . . . . 0.0 113.371 176.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.09 -18.89 30.52 Favored 'Trans proline' 0 C--N 1.352 0.757 0 CA-C-N 123.961 2.45 . . . . 0.0 112.689 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.62 -5.86 28.3 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.158 -1.401 . . . . 0.0 112.29 170.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -75.19 -68.5 0.55 Allowed 'General case' 0 C--N 1.36 1.046 0 N-CA-C 103.586 -2.746 . . . . 0.0 103.586 -173.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -38.31 -36.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.159 0 CA-C-N 121.348 1.886 . . . . 0.0 112.403 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.34 -40.25 93.4 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 119.307 -0.957 . . . . 0.0 110.187 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -48.15 -19.7 0.3 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 116.928 2.196 . . . . 0.0 116.928 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.45 ' CB ' HD13 ' A' ' 54' ' ' LEU . 2.0 t80 -140.14 -53.86 0.52 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.683 1.583 . . . . 0.0 109.788 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.76 -28.33 73.53 Favored Glycine 0 C--N 1.358 1.795 0 CA-C-O 117.915 -1.492 . . . . 0.0 112.762 172.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.23 5.39 84.41 Favored Glycine 0 C--N 1.357 1.703 0 CA-C-N 119.448 1.624 . . . . 0.0 112.721 175.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -88.02 75.01 8.81 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 102.701 -3.074 . . . . 0.0 102.701 174.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.07 -29.49 60.59 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 119.195 -1.002 . . . . 0.0 110.091 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -44.91 -27.76 0.57 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.928 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -32.05 135.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.809 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.4 t -75.32 -42.58 54.15 Favored 'General case' 0 C--N 1.364 1.216 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.806 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -134.74 140.7 46.14 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 119.78 1.173 . . . . 0.0 111.426 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -150.96 129.04 11.81 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 115.771 -2.062 . . . . 0.0 106.588 -178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -111.92 65.74 0.63 Allowed 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.158 2.254 . . . . 0.0 109.267 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.89 144.45 48.79 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.792 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.8 t -163.91 170.16 17.12 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 119.769 1.168 . . . . 0.0 111.28 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.268 0.1 OUTLIER -25.03 -63.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.993 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.1 t -137.36 31.59 2.6 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.805 1.184 . . . . 0.0 108.648 177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.17 122.03 11.28 Favored 'General case' 0 C--N 1.359 0.982 0 CA-C-O 116.896 -1.526 . . . . 0.0 108.636 -173.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.357 3.2 pp -121.7 173.04 7.7 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 177.059 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -154.27 159.26 41.2 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 115.304 -2.284 . . . . 0.0 106.172 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 t -148.92 69.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 122.168 2.258 . . . . 0.0 109.32 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -78.7 95.42 5.29 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 117.496 -1.24 . . . . 0.0 113.511 -170.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 m -148.9 175.5 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.216 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -173.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.97 2.29 25.07 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-O 116.264 -1.826 . . . . 0.0 113.41 173.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.99 59.98 0.52 Allowed 'General case' 0 C--N 1.358 0.961 0 CA-C-N 122.393 2.36 . . . . 0.0 110.218 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.28 0.2 OUTLIER -103.41 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.492 174.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -36.25 -44.13 0.39 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.5 1.5 . . . . 0.0 112.911 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.74 26.58 0.74 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 23' ' ' PHE . 13.1 p -63.04 149.8 9.94 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.468 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.74 65.7 1.57 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -70.71 -46.77 62.49 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.74 -34.59 3.71 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 124.11 0.881 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.68 -42.42 7.29 Favored Glycine 0 C--N 1.354 1.57 0 N-CA-C 110.496 -1.042 . . . . 0.0 110.496 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -66.02 -9.58 31.81 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.571 1.685 . . . . 0.0 113.108 -174.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' CB ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -91.06 -44.86 9.03 Favored 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -176.641 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -88.92 -14.62 36.3 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 117.304 -1.331 . . . . 0.0 111.41 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.3 -36.87 4.53 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.956 1.253 . . . . 0.0 112.97 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.94 -51.01 3.51 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.81 -160.0 0.7 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-O 117.548 -1.215 . . . . 0.0 107.762 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -126.88 37.79 4.22 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.934 1.243 . . . . 0.0 109.286 -176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.59 120.42 2.14 Favored Glycine 0 C--N 1.351 1.365 0 N-CA-C 107.581 -2.208 . . . . 0.0 107.581 -176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 HG13 ' CB ' ' A' ' 55' ' ' LYS . 2.7 m -131.43 174.87 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.874 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.14 140.62 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 N-CA-C 104.965 -2.235 . . . . 0.0 104.965 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.3 t -114.84 130.4 69.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.45 87.55 2.02 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 116.893 -1.527 . . . . 0.0 108.214 -174.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -26.4 107.65 0.01 OUTLIER Glycine 0 C--N 1.359 1.816 0 CA-C-O 116.532 -2.26 . . . . 0.0 112.329 -176.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 56.4 p 127.07 -33.59 0.01 OUTLIER 'General case' 0 C--N 1.359 1.011 0 CA-C-N 118.634 1.217 . . . . 0.0 107.962 -166.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.94 174.32 45.26 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.99 144.59 23.83 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.22 143.18 50.76 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 114.15 -2.834 . . . . 0.0 107.833 -176.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -128.92 144.16 51.1 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.211 1.823 . . . . 0.0 109.808 -175.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . 0.277 1.0 OUTLIER -139.33 118.61 13.21 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-O 117.033 -1.46 . . . . 0.0 107.674 -172.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -110.9 42.94 1.52 Allowed 'General case' 0 C--N 1.364 1.196 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 76' ' ' LYS . . . -85.17 -166.71 42.23 Favored Glycine 0 C--N 1.359 1.821 0 CA-C-O 117.224 -1.876 . . . . 0.0 109.752 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p 53.62 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.359 0.985 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 170.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' GLY . 2.7 ptpp? -105.1 54.75 0.7 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 104.398 -2.445 . . . . 0.0 104.398 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.5 t -75.83 -50.78 14.15 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.26 -38.29 73.65 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.834 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -66.36 -47.0 74.8 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.891 0.769 . . . . 0.0 110.075 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.31 -49.17 58.28 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -55.25 -37.68 67.53 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.315 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -58.44 -46.68 86.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 119.887 1.221 . . . . 0.0 107.777 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.431 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 72.5 mm-40 -59.05 -41.48 87.98 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.402 ' HA ' ' CE2' ' A' ' 87' ' ' TYR . 49.2 mtp -56.69 -48.35 77.87 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 119.822 1.192 . . . . 0.0 109.335 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -54.06 -45.98 71.82 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -50.45 -39.88 48.96 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.642 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.447 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 4.9 m-30 -64.63 -47.44 78.57 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.464 1.029 . . . . 0.0 112.378 -172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.29 -37.58 80.01 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.4 mtt85 -67.44 -31.75 72.15 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 119.007 -0.52 . . . . 0.0 110.524 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -79.11 -19.52 50.95 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.523 -1.227 . . . . 0.0 111.699 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.01 33.16 4.8 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.694 1.134 . . . . 0.0 109.649 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.602 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -178.005 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.0 ptt? . . . . . 0 CA--C 1.508 -0.648 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -49.86 -44.19 77.32 Favored Pre-proline 0 C--N 1.355 0.828 0 CA-C-O 115.391 -2.242 . . . . 0.0 111.228 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 57.9 Cg_endo -71.55 -40.23 3.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 CA-C-N 124.404 2.609 . . . . 0.0 112.942 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.39 -31.35 72.41 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 119.378 0.99 . . . . 0.0 109.281 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' ALA . 2.5 tm? -77.91 -67.24 0.75 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-O 115.45 -2.214 . . . . 0.0 105.255 -172.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG11 ' CD2' ' A' ' 87' ' ' TYR . 7.3 p -40.58 -34.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 122.426 2.375 . . . . 0.0 111.081 174.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.97 79.34 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.111 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.03 -16.66 0.15 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 116.239 1.94 . . . . 0.0 116.239 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' CB ' HD13 ' A' ' 54' ' ' LEU . 2.5 t80 -142.28 -52.78 0.41 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.706 1.594 . . . . 0.0 109.674 177.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.57 -20.06 67.56 Favored Glycine 0 C--N 1.358 1.774 0 CA-C-O 117.128 -1.929 . . . . 0.0 113.687 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.38 18.32 51.46 Favored Glycine 0 C--N 1.357 1.743 0 CA-C-N 120.09 1.945 . . . . 0.0 111.53 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -95.18 55.97 1.85 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 104.354 -2.462 . . . . 0.0 104.354 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -50.81 -25.9 5.04 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.422 1.01 . . . . 0.0 112.029 -169.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -51.1 -16.55 0.48 Allowed 'General case' 0 C--N 1.356 0.891 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.0 152.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -64.11 -56.05 17.6 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 116.455 -1.735 . . . . 0.0 112.397 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -135.51 142.48 45.45 Favored 'General case' 0 C--N 1.362 1.11 0 CA-C-N 121.924 2.147 . . . . 0.0 112.004 177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.6 148.99 45.88 Favored 'General case' 0 C--N 1.362 1.112 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 173.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.59 55.44 1.53 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 120.526 1.512 . . . . 0.0 107.441 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 138.2 57.98 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.638 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ILE . 3.9 t -163.22 163.89 25.3 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.46 -177.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.308 0.8 OUTLIER -4.18 -94.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 116.002 1.853 . . . . 0.0 116.002 -179.507 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.9 p -116.84 29.49 7.9 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -137.83 127.51 25.23 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -176.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.324 3.7 pp -130.54 176.52 8.1 Favored 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -157.37 156.68 32.71 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.007 -1.949 . . . . 0.0 106.137 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.25 75.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.698 0 CA-C-N 120.286 1.403 . . . . 0.0 107.841 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.3 t -72.63 111.64 7.96 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.115 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -164.58 151.85 2.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 CA-C-O 117.695 -1.145 . . . . 0.0 110.36 -174.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.87 74.36 1.12 Allowed 'General case' 0 C--N 1.358 0.944 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 169.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -129.16 48.9 2.3 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.949 -2.612 . . . . 0.0 103.949 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 p -80.28 2.86 2.22 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.335 174.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 44.8 t -48.81 -33.55 10.67 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 117.374 -1.298 . . . . 0.0 111.824 174.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -164.59 -64.8 0.04 OUTLIER 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.925 -1.512 . . . . 0.0 110.743 179.495 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 48' ' ' LYS 0.321 9.0 p 42.63 177.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.065 0 O-C-N 124.48 1.113 . . . . 0.0 113.421 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -130.6 50.85 2.17 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 173.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.33 -45.86 68.45 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -40.59 -34.72 0.39 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.63 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.77 -48.51 3.15 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 119.119 -0.823 . . . . 0.0 111.192 172.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.406 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -55.03 -24.28 23.88 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 118.776 1.288 . . . . 0.0 112.553 -177.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -32.81 62.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 116.045 1.868 . . . . 0.0 116.045 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.65 -40.86 5.86 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 124.247 0.967 . . . . 0.0 109.968 176.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 tt -70.67 -55.06 9.59 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.51 -49.76 5.03 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-O 119.173 -0.793 . . . . 0.0 111.607 -171.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.56 -166.0 1.05 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.5 37.51 2.91 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.71 1.141 . . . . 0.0 108.344 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.68 98.59 0.36 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 108.677 -1.769 . . . . 0.0 108.677 -173.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -120.93 161.57 20.65 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.57 151.03 31.21 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.8 t -128.07 94.11 2.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 -174.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -109.77 87.11 2.43 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.807 -1.568 . . . . 0.0 108.717 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -23.74 104.5 0.01 OUTLIER Glycine 0 C--N 1.36 1.888 0 CA-C-O 116.567 -2.241 . . . . 0.0 112.701 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 m 130.74 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.043 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 -167.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.24 158.97 31.11 Favored Glycine 0 C--N 1.355 1.607 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.7 t -135.74 133.77 51.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 N-CA-C 103.913 -2.625 . . . . 0.0 103.913 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -112.82 149.4 33.12 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-O 112.873 -3.441 . . . . 0.0 107.036 -174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -138.72 125.49 20.94 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 123.27 2.759 . . . . 0.0 112.276 -176.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -131.09 126.58 59.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-N 121.679 2.036 . . . . 0.0 108.666 -171.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.302 0.0 OUTLIER -96.86 -7.99 32.08 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.344 -1.312 . . . . 0.0 109.875 178.264 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 60.97 -159.63 27.66 Favored Glycine 0 C--N 1.359 1.855 0 CA-C-N 120.395 1.452 . . . . 0.0 109.769 169.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.0 t -63.89 -30.92 71.96 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 119.095 -1.042 . . . . 0.0 109.667 171.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -51.43 -26.49 8.15 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.466 1.03 . . . . 0.0 110.782 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.3 p -37.72 -34.08 0.09 Allowed 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 116.289 -1.815 . . . . 0.0 115.144 175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -62.6 -47.34 84.22 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 122.301 2.319 . . . . 0.0 108.499 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -69.18 -38.54 78.75 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.888 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -75.17 -38.81 60.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.45 -36.77 64.43 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.251 -1.531 . . . . 0.0 110.076 172.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 m -60.36 -48.01 83.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.167 1.349 . . . . 0.0 109.718 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.17 -35.91 82.57 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 120.07 1.305 . . . . 0.0 109.347 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 39.2 mtm -67.59 -40.95 84.8 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -48.69 -53.83 17.25 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -54.14 -48.47 70.8 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.102 -1.427 . . . . 0.0 109.657 178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -44.88 -59.62 2.46 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 120.316 1.416 . . . . 0.0 111.557 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.5 -43.96 97.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.207 -173.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -64.12 -29.34 70.47 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 119.603 -0.839 . . . . 0.0 111.24 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -77.97 -22.36 49.56 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.938 177.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.85 33.98 4.97 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 118.991 0.814 . . . . 0.0 109.254 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.608 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -177.172 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 116.872 -1.537 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -44.91 -48.02 29.8 Favored Pre-proline 0 C--N 1.356 0.861 0 CA-C-O 116.192 -1.861 . . . . 0.0 112.299 176.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 50.4 Cg_endo -69.65 -39.78 6.29 Favored 'Trans proline' 0 C--N 1.362 1.275 0 CA-C-N 123.947 2.445 . . . . 0.0 112.077 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.06 -30.51 71.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 119.264 0.938 . . . . 0.0 109.643 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -76.76 -66.08 0.86 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 -173.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -44.39 -36.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 CA-C-N 121.41 1.914 . . . . 0.0 109.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.04 -40.73 91.25 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.878 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -45.96 -27.44 0.9 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.785 -1.579 . . . . 0.0 115.2 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.485 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -128.66 -52.84 1.25 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 120.063 1.301 . . . . 0.0 110.526 178.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.22 -18.23 76.5 Favored Glycine 0 C--N 1.358 1.752 0 CA-C-O 117.617 -1.657 . . . . 0.0 113.716 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -98.04 14.68 62.42 Favored Glycine 0 C--N 1.357 1.709 0 CA-C-N 119.705 1.752 . . . . 0.0 111.451 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -87.76 74.43 9.12 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 104.27 -2.493 . . . . 0.0 104.27 175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.13 -36.26 18.61 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.888 -175.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -43.19 -31.99 0.68 Allowed 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -20.67 159.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 121.8 4.0 . . . . 0.0 121.8 176.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.94 -56.5 2.23 Favored 'General case' 0 C--N 1.364 1.211 0 CA-C-O 116.62 -1.657 . . . . 0.0 111.999 -174.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.42 128.12 10.86 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-N 123.697 2.953 . . . . 0.0 113.486 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mp -119.66 168.93 10.55 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 120.182 1.356 . . . . 0.0 108.04 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.62 77.99 1.72 Allowed 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.88 150.67 48.26 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.386 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -169.02 177.2 5.01 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.541 1.064 . . . . 0.0 112.063 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.327 0.0 OUTLIER -30.43 -71.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.929 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -174.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -125.71 32.68 5.25 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -137.78 135.08 35.99 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.874 -170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.697 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 3.8 pp -147.63 119.23 7.97 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 115.747 -2.073 . . . . 0.0 107.514 176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -100.43 168.84 9.49 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 122.848 2.567 . . . . 0.0 109.168 -175.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.457 ' HB ' ' CZ ' ' A' ' 23' ' ' PHE . 1.3 t -142.01 69.43 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.988 0 CA-C-N 119.535 1.061 . . . . 0.0 112.911 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 t -69.83 108.64 4.04 Favored 'General case' 0 C--N 1.36 1.044 0 CA-C-O 116.624 -1.655 . . . . 0.0 114.482 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 m -149.77 164.9 3.47 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 CA-C-N 119.977 1.262 . . . . 0.0 113.373 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -101.94 -13.35 17.64 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 116.239 -1.839 . . . . 0.0 112.565 172.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.15 76.03 0.01 OUTLIER 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.819 2.099 . . . . 0.0 109.114 169.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.6 p -109.17 35.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.005 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 174.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -70.42 -62.7 1.29 Allowed 'General case' 0 C--N 1.357 0.894 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.35 13.01 2.38 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.502 -1.237 . . . . 0.0 114.035 173.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.25 132.75 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.837 0 CA-C-N 120.476 1.489 . . . . 0.0 111.218 -177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -86.86 71.4 10.31 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -79.56 -39.78 30.99 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.78 -29.83 8.51 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.611 . . . . 0.0 110.757 175.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.79 -39.54 8.09 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.751 -1.027 . . . . 0.0 111.035 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -68.1 -18.55 64.68 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 117.03 -1.462 . . . . 0.0 112.163 -173.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -80.24 -32.23 38.4 Favored 'General case' 0 CA--C 1.5 -0.975 0 CA-C-N 119.686 1.13 . . . . 0.0 113.121 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.17 -18.68 16.8 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 117.595 -1.193 . . . . 0.0 112.035 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.47 -34.78 6.42 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-N 119.839 1.199 . . . . 0.0 111.937 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.19 -49.05 2.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 120.74 1.609 . . . . 0.0 110.601 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.19 -162.17 0.89 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -151.08 56.23 0.89 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 121.173 1.806 . . . . 0.0 109.774 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.2 73.87 0.03 OUTLIER Glycine 0 C--N 1.351 1.376 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 55' ' ' LYS . 2.3 m -111.02 169.3 4.0 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 118.83 1.315 . . . . 0.0 108.626 -177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.59 135.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.21 127.14 66.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.81 93.11 2.62 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.561 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -30.31 112.11 0.04 OUTLIER Glycine 0 C--N 1.358 1.756 0 CA-C-O 115.71 -2.717 . . . . 0.0 111.782 -176.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 74.6 m 120.82 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.12 1.46 . . . . 0.0 108.837 -167.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -175.42 162.86 32.48 Favored Glycine 0 C--N 1.353 1.505 0 CA-C-O 118.041 -1.422 . . . . 0.0 110.575 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.2 t -136.41 117.15 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.847 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -85.88 158.06 20.03 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 105.858 -1.905 . . . . 0.0 105.858 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.309 . . -150.31 127.21 11.08 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 117.294 -1.336 . . . . 0.0 109.11 178.151 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -147.37 151.06 14.06 Favored 'Isoleucine or valine' 0 C--N 1.357 0.925 0 CA-C-N 119.963 1.256 . . . . 0.0 108.594 -169.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -124.15 70.59 1.1 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 -179.303 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -33.22 -95.79 0.01 OUTLIER Glycine 0 C--N 1.362 2.015 0 O-C-N 125.246 1.591 . . . . 0.0 114.242 -168.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -101.37 -26.04 13.74 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 118.643 1.221 . . . . 0.0 111.651 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -64.78 -4.65 4.57 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 120.483 1.492 . . . . 0.0 113.022 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.9 t -32.98 -39.91 0.05 OUTLIER 'General case' 0 C--N 1.351 0.649 0 CA-C-N 121.216 1.825 . . . . 0.0 113.989 166.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.35 -50.66 72.24 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 120.741 1.61 . . . . 0.0 109.381 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -61.69 -41.81 98.08 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 119.045 -0.503 . . . . 0.0 112.025 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.56 -47.66 31.41 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 118.249 -0.881 . . . . 0.0 109.133 -174.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -48.03 -36.43 12.86 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.81 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -61.96 -46.83 87.54 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.908 1.685 . . . . 0.0 109.14 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.71 -40.89 96.64 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 119.421 1.009 . . . . 0.0 109.896 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.6 mtt -66.53 -36.33 82.43 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -56.64 -44.91 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.94 -50.13 71.6 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-O 116.833 -1.556 . . . . 0.0 109.588 176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.74 -61.44 1.25 Allowed 'General case' 0 C--N 1.353 0.745 0 CA-C-N 120.761 1.619 . . . . 0.0 111.209 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.1 -44.07 98.56 Favored 'Isoleucine or valine' 0 C--N 1.348 0.51 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.855 -173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -60.78 -31.64 70.99 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.389 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -81.72 -17.63 47.19 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.701 -1.143 . . . . 0.0 111.448 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.11 38.7 3.63 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 119.487 1.04 . . . . 0.0 108.622 -176.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.595 0 C-N-CA 120.035 -1.079 . . . . 0.0 110.922 -174.086 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 CA--C 1.512 -0.495 0 CA-C-O 118.253 -0.88 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.65 -41.34 89.26 Favored Pre-proline 0 C--N 1.355 0.833 0 CA-C-O 115.738 -2.077 . . . . 0.0 111.752 174.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.45 -34.58 9.36 Favored 'Trans proline' 0 C--N 1.353 0.804 0 CA-C-N 123.798 2.392 . . . . 0.0 111.486 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -31.12 71.11 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 118.843 -1.143 . . . . 0.0 108.474 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -64.94 -67.15 0.46 Allowed 'General case' 0 C--N 1.356 0.88 0 CA-C-O 115.305 -2.283 . . . . 0.0 105.86 -177.254 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.7 p -42.05 -37.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.339 0 CA-C-N 122.107 2.23 . . . . 0.0 111.36 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.65 -38.48 91.29 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 119.012 -1.075 . . . . 0.0 111.105 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -49.91 -13.83 0.12 Allowed 'General case' 0 C--N 1.359 0.978 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.457 ' CD1' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -145.85 -48.17 0.21 Allowed 'General case' 0 C--N 1.356 0.89 0 CA-C-N 121.602 2.001 . . . . 0.0 111.503 177.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.31 -26.3 74.4 Favored Glycine 0 C--N 1.359 1.828 0 CA-C-O 117.552 -1.694 . . . . 0.0 112.567 170.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.5 0.63 68.28 Favored Glycine 0 C--N 1.357 1.695 0 CA-C-N 119.624 1.712 . . . . 0.0 112.444 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -71.53 85.95 0.87 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 103.505 -2.776 . . . . 0.0 103.505 172.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -35.09 78.6 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.052 0.842 . . . . 0.0 110.091 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -42.92 -29.62 0.34 Allowed 'General case' 0 C--N 1.358 0.962 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -13.98 155.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.695 1 N-CA-C 122.33 4.196 . . . . 0.0 122.33 174.093 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.82 -54.45 2.52 Favored 'General case' 0 C--N 1.361 1.098 0 CA-C-O 117.056 -1.45 . . . . 0.0 111.271 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -151.38 109.09 3.65 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 121.959 2.163 . . . . 0.0 112.669 -172.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mp -113.02 162.38 15.95 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-N 119.661 1.118 . . . . 0.0 108.084 175.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.75 68.0 1.44 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.34 146.26 48.73 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.394 -178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.97 166.43 21.61 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.674 1.124 . . . . 0.0 111.427 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.276 0.1 OUTLIER -24.99 -66.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.988 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -173.208 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.8 p -133.85 35.57 3.33 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -154.26 111.0 3.33 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.932 -1.509 . . . . 0.0 109.035 -170.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.373 3.2 pp -115.34 -178.41 3.37 Favored 'General case' 0 C--N 1.361 1.105 0 CA-C-N 119.778 1.172 . . . . 0.0 108.398 178.045 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -158.87 155.44 27.77 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 114.834 -2.507 . . . . 0.0 106.995 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.7 t -137.58 64.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 121.898 2.135 . . . . 0.0 111.245 -171.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -69.1 98.06 0.95 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-O 117.373 -1.299 . . . . 0.0 112.003 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 m -149.4 170.82 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.141 0 CA-C-O 117.683 -1.151 . . . . 0.0 112.089 -176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.92 4.27 15.74 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 116.356 -1.783 . . . . 0.0 112.996 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.46 58.94 0.78 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.555 2.434 . . . . 0.0 109.601 171.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.5 p -93.13 -4.52 10.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.093 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.2 t -31.72 -51.75 0.22 Allowed 'General case' 0 C--N 1.362 1.115 0 CA-C-N 119.989 1.268 . . . . 0.0 112.974 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 26.01 0.78 Allowed 'General case' 0 C--N 1.354 0.768 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 23' ' ' PHE . 13.4 p -57.19 152.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.946 -174.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -102.89 64.21 0.85 Allowed 'General case' 0 C--N 1.355 0.827 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -70.44 -45.1 66.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.34 -33.82 1.76 Allowed 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.053 0.846 . . . . 0.0 110.726 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -49.23 5.2 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -62.03 -15.01 41.35 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.3 1.55 . . . . 0.0 112.452 -170.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -45.2 17.99 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -88.8 -35.33 16.69 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.717 1.261 . . . . 0.0 110.674 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 57' ' ' LEU . 2.5 tm? -89.1 -44.57 10.24 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.854 -0.593 . . . . 0.0 110.388 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.47 -56.25 3.03 Favored Glycine 0 C--N 1.351 1.391 0 N-CA-C 109.664 -1.375 . . . . 0.0 109.664 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -105.48 -151.69 0.45 Allowed 'General case' 0 C--N 1.356 0.859 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -138.61 40.54 2.2 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.295 1.407 . . . . 0.0 109.77 174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.02 107.92 0.86 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.276 -1.847 . . . . 0.0 109.041 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.71 171.86 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-N 119.464 1.632 . . . . 0.0 106.631 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.17 134.39 35.86 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.71 127.22 62.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 -176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -138.84 90.69 2.46 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.87 -1.538 . . . . 0.0 107.993 -176.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -29.0 112.46 0.03 OUTLIER Glycine 0 C--N 1.358 1.802 0 CA-C-O 116.094 -2.503 . . . . 0.0 111.858 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 36.4 t 117.35 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.36 1.039 0 CA-C-N 119.012 1.406 . . . . 0.0 109.508 -167.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.24 163.31 31.31 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-O 117.817 -1.546 . . . . 0.0 110.848 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -138.68 135.2 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.769 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -108.57 152.39 24.83 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-O 114.025 -2.893 . . . . 0.0 107.085 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -142.09 126.51 17.72 Favored 'General case' 0 C--N 1.363 1.182 0 CA-C-N 122.229 2.286 . . . . 0.0 112.001 -176.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.3 125.47 67.64 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-N 121.303 1.865 . . . . 0.0 109.378 -169.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CE1' HD23 ' A' ' 39' ' ' LEU . 1.1 p90 -116.04 50.04 1.06 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -100.76 165.93 19.14 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 105.628 -2.989 . . . . 0.0 105.628 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 m 82.74 -42.66 0.12 Allowed 'General case' 0 C--N 1.353 0.731 0 CA-C-N 118.947 1.373 . . . . 0.0 109.66 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.78 55.25 1.0 Allowed 'General case' 0 C--N 1.358 0.936 0 CA-C-N 120.039 1.29 . . . . 0.0 110.579 174.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.54 -55.08 22.86 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -54.72 -41.1 69.93 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.273 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -61.12 -44.52 97.22 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 119.566 -0.854 . . . . 0.0 109.862 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -67.44 0.44 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.73 -31.74 0.51 Allowed 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.944 -1.027 . . . . 0.0 113.255 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.3 m -64.4 -69.37 0.29 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.766 1.166 . . . . 0.0 109.43 174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -53.4 -34.58 58.27 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 118.984 0.811 . . . . 0.0 110.657 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.456 ' HA ' ' CD2' ' A' ' 87' ' ' TYR . 42.6 mtp -63.24 -45.89 89.5 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.514 1.052 . . . . 0.0 108.9 176.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -48.2 -47.07 35.7 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.68 -42.82 93.8 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-O 117.915 -1.041 . . . . 0.0 110.696 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 84' ' ' MET . 6.0 m-30 -56.34 -49.78 73.38 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 119.54 1.063 . . . . 0.0 110.239 -174.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.66 -42.1 94.11 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 -177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -64.7 -28.46 69.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 118.494 0.588 . . . . 0.0 111.233 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -74.97 -20.74 59.53 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.181 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.25 24.22 5.93 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.359 0.981 . . . . 0.0 111.357 -176.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.599 0 N-CA-C 108.314 -1.914 . . . . 0.0 108.314 -177.797 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.0 ptt? . . . . . 0 C--O 1.217 -0.655 0 CA-C-O 117.25 -1.357 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -55.75 -41.75 92.53 Favored Pre-proline 0 C--N 1.354 0.783 0 CA-C-N 122.224 2.284 . . . . 0.0 111.022 175.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 11.5 Cg_endo -70.82 -50.28 0.36 Allowed 'Trans proline' 0 C--N 1.354 0.829 0 CA-C-N 123.726 2.366 . . . . 0.0 111.75 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.58 86.43 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.139 -1.024 . . . . 0.0 109.561 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -67.15 0.5 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 -175.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -46.46 -33.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.092 0 CA-C-N 120.873 1.669 . . . . 0.0 110.774 -176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.35 92.64 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 120.126 -0.629 . . . . 0.0 111.146 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.77 -22.47 2.15 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 1.0 OUTLIER -132.29 -49.15 0.92 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.969 1.713 . . . . 0.0 110.901 176.12 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.97 -20.47 78.9 Favored Glycine 0 C--N 1.359 1.84 0 CA-C-O 117.55 -1.695 . . . . 0.0 113.113 173.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.41 13.54 66.99 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-N 119.751 1.776 . . . . 0.0 111.54 173.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.31 57.42 1.22 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 102.859 -3.015 . . . . 0.0 102.859 173.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.02 -23.91 15.15 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.097 -174.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -55.93 -9.47 0.59 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -44.79 153.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 49.8 p -70.61 -50.7 34.28 Favored 'General case' 0 C--N 1.361 1.081 0 CA-C-O 116.501 -1.714 . . . . 0.0 111.445 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -135.27 146.6 48.71 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 121.931 2.15 . . . . 0.0 113.071 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.15 164.2 19.13 Favored 'General case' 0 C--N 1.36 1.023 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.06 70.64 1.2 Allowed 'General case' 0 C--N 1.355 0.846 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 174.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.76 153.19 37.15 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.014 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -168.09 -178.92 3.88 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 118.621 0.646 . . . . 0.0 111.273 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -36.46 -54.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -172.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -144.21 42.69 1.41 Allowed 'General case' 0 C--N 1.35 0.598 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -138.94 142.4 38.44 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 -174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.672 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.8 OUTLIER -149.42 122.92 9.1 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 114.249 -2.786 . . . . 0.0 108.89 -179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -125.94 151.89 46.36 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 120.646 1.566 . . . . 0.0 108.914 -171.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.56 90.55 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.78 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 -175.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.52 122.3 33.23 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 120.179 1.354 . . . . 0.0 109.674 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -158.35 165.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 119.421 1.01 . . . . 0.0 109.556 -166.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.77 -56.75 18.14 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 117.157 -1.402 . . . . 0.0 110.815 173.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -21.12 -101.45 0.0 OUTLIER 'General case' 0 C--N 1.363 1.153 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.305 0.6 OUTLIER 49.05 17.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.04 0 CA-C-N 122.722 2.51 . . . . 0.0 113.557 178.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 t -138.92 -76.64 0.36 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.205 0.911 . . . . 0.0 108.862 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -21.15 62.9 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-N 119.468 1.031 . . . . 0.0 111.411 175.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG21 ' CD1' ' A' ' 23' ' ' PHE . 12.1 p -51.11 150.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.894 -175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -98.2 50.52 1.01 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 118.507 0.594 . . . . 0.0 110.774 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.509 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 6.4 mt-30 -64.92 -38.62 91.58 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -37.22 -38.79 0.23 Allowed 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.629 -0.701 . . . . 0.0 112.089 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.46 -41.73 6.02 Favored Glycine 0 C--N 1.354 1.544 0 CA-C-O 118.581 -1.122 . . . . 0.0 111.241 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.41 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -64.0 -18.66 64.52 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 119.66 1.73 . . . . 0.0 111.658 -174.574 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.97 -39.25 34.9 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.22 -8.77 21.87 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.416 -1.278 . . . . 0.0 112.634 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.52 -38.02 5.05 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.283 1.401 . . . . 0.0 111.484 177.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.95 -67.43 1.17 Allowed Glycine 0 C--N 1.356 1.675 0 N-CA-C 108.483 -1.847 . . . . 0.0 108.483 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -97.42 -165.19 1.23 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' HB3' ' HA ' ' A' ' 73' ' ' PHE . . . -142.8 63.12 1.39 Allowed 'General case' 0 C--N 1.357 0.917 0 CA-C-N 120.158 1.345 . . . . 0.0 107.981 -174.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.7 93.94 0.88 Allowed Glycine 0 C--N 1.351 1.371 0 N-CA-C 107.772 -2.131 . . . . 0.0 107.772 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.07 169.78 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.013 0 CA-C-N 119.261 1.531 . . . . 0.0 108.571 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.0 m -133.45 145.04 34.37 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.29 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 N-CA-C 105.753 -1.943 . . . . 0.0 105.753 -177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -139.31 97.42 3.29 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 116.489 -1.719 . . . . 0.0 107.956 -175.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.38 112.05 0.06 OUTLIER Glycine 0 C--N 1.358 1.787 0 CA-C-O 116.205 -2.442 . . . . 0.0 111.491 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 71.2 m 114.54 -16.36 0.01 OUTLIER 'General case' 0 C--N 1.36 1.054 0 CA-C-N 119.203 1.501 . . . . 0.0 109.803 -167.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.63 174.74 45.12 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 120.938 1.699 . . . . 0.0 111.503 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -152.99 108.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 118.622 1.211 . . . . 0.0 107.982 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -88.69 147.49 24.49 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-O 116.611 -1.661 . . . . 0.0 107.591 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.257 . . -132.12 146.26 51.92 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -178.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -147.77 149.65 15.2 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-O 115.481 -2.199 . . . . 0.0 107.547 -169.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 60' ' ' ALA 0.253 4.5 p90 -138.23 48.87 1.95 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.598 1.999 . . . . 0.0 113.014 -178.16 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.31 -36.91 13.25 Favored Glycine 0 C--N 1.351 1.383 0 CA-C-O 118.337 -1.257 . . . . 0.0 110.958 173.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.445 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 35.2 p -74.04 90.43 1.99 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.787 1.294 . . . . 0.0 108.604 -175.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 84.98 30.78 0.05 OUTLIER 'General case' 0 C--N 1.358 0.957 0 CA-C-O 118.511 -0.756 . . . . 0.0 111.125 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.21 -56.14 1.55 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 119.543 1.065 . . . . 0.0 112.793 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -53.65 -43.32 68.68 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.387 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 118.921 0.782 . . . . 0.0 111.413 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.499 ' HG ' ' HB2' ' A' ' 60' ' ' ALA . 3.6 mm? -69.29 -46.47 67.12 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -177.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -58.16 -31.51 67.31 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.589 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 m -62.86 -44.51 95.93 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.685 1.129 . . . . 0.0 108.726 171.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -61.46 -39.02 89.35 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 119.397 0.999 . . . . 0.0 108.972 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 59.6 mtt -66.59 -42.26 87.24 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.159 0.891 . . . . 0.0 108.813 177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -50.09 -53.23 28.68 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -48.13 -49.28 32.7 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.054 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 0.0 OUTLIER -46.63 -62.97 1.14 Allowed 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.709 1.14 . . . . 0.0 110.284 179.539 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.56 -45.63 93.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 C-N-CA 119.316 -0.953 . . . . 0.0 108.608 -172.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.3 mtm105 -62.27 -31.67 72.29 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.747 -0.781 . . . . 0.0 111.217 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -77.87 -21.27 51.61 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.045 -0.979 . . . . 0.0 111.08 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.86 36.11 4.38 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 118.921 0.782 . . . . 0.0 109.457 -177.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.74 0 C-N-CA 120.181 -1.009 . . . . 0.0 111.469 -178.864 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 77.4 mtp . . . . . 0 CA--C 1.509 -0.632 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.538 ' HB1' ' CE1' ' A' ' 87' ' ' TYR . . . -54.43 -41.61 90.09 Favored Pre-proline 0 C--N 1.352 0.701 0 CA-C-O 116.025 -1.941 . . . . 0.0 111.436 177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 38.9 Cg_endo -72.93 -30.21 11.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 CA-C-N 124.779 2.742 . . . . 0.0 112.239 172.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 -33.33 71.23 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 120.415 1.461 . . . . 0.0 108.977 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.07 -66.57 0.48 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-O 116.23 -1.843 . . . . 0.0 109.008 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.3 p -46.19 -36.61 2.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 122.093 2.224 . . . . 0.0 110.118 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -37.03 86.0 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 119.204 -0.998 . . . . 0.0 111.481 -178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.39 -22.4 31.14 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.498 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -133.35 -46.02 0.83 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.934 1.697 . . . . 0.0 110.366 175.184 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.94 -22.65 78.71 Favored Glycine 0 C--N 1.359 1.807 0 CA-C-O 117.436 -1.758 . . . . 0.0 113.907 172.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.14 9.79 72.18 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-N 120.191 1.996 . . . . 0.0 112.275 175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -82.16 79.22 8.71 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 104.581 -2.378 . . . . 0.0 104.581 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.98 -34.34 67.99 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.529 -0.868 . . . . 0.0 110.062 -176.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -45.17 -28.52 0.77 Allowed 'General case' 0 C--N 1.357 0.907 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -12.94 151.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 121.517 3.895 . . . . 0.0 121.517 174.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.9 p -104.03 -61.77 1.4 Allowed 'General case' 0 C--N 1.364 1.217 0 CA-C-O 118.232 -0.889 . . . . 0.0 111.478 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -143.39 104.5 4.25 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-O 117.54 -1.219 . . . . 0.0 112.5 -175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.71 163.7 13.03 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 119.895 1.225 . . . . 0.0 109.046 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.26 69.08 1.48 Allowed 'General case' 0 C--N 1.356 0.872 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.09 144.67 56.93 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.931 -1.509 . . . . 0.0 110.88 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -163.34 169.11 19.52 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 120.347 1.43 . . . . 0.0 112.292 178.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.293 0.0 OUTLIER -26.19 -69.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -174.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 p -131.2 35.49 3.9 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 105.999 -1.852 . . . . 0.0 105.999 177.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' N ' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -150.51 102.9 3.08 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-O 117.724 -1.131 . . . . 0.0 108.762 -173.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.597 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 4.3 pp -120.2 142.28 49.14 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 115.146 -2.359 . . . . 0.0 107.244 -178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -123.13 167.54 13.56 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-O 114.86 -2.495 . . . . 0.0 109.087 -174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.42 57.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.244 0 CA-C-N 121.647 2.021 . . . . 0.0 115.259 -174.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.3 t -71.89 88.69 1.05 Allowed 'General case' 0 C--N 1.355 0.813 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -143.97 152.72 15.84 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.993 -174.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.01 -6.95 59.69 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 116.776 -1.583 . . . . 0.0 110.499 174.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -68.98 68.34 0.16 Allowed 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.058 1.754 . . . . 0.0 108.379 174.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.89 30.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.049 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.5 t -72.77 -85.02 0.03 OUTLIER 'General case' 0 C--N 1.356 0.872 0 CA-C-O 117.659 -1.162 . . . . 0.0 109.895 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.89 5.06 49.43 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.899 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 23' ' ' PHE . 12.3 p -40.91 141.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.781 -171.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.2 p30 -95.19 53.17 1.5 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.8 1.182 . . . . 0.0 108.275 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.498 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 22.0 mt-30 -63.37 -44.99 93.19 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.03 -32.47 1.69 Allowed 'General case' 0 C--N 1.348 0.527 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.426 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -91.35 -44.2 4.41 Favored Glycine 0 C--N 1.355 1.638 0 CA-C-O 118.412 -1.215 . . . . 0.0 111.757 171.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.6 OUTLIER -60.61 -24.1 65.23 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.069 1.934 . . . . 0.0 110.594 -175.136 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -47.37 63.7 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -177.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -90.4 -38.87 13.02 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.55 -38.61 15.84 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.612 -175.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.3 -52.21 3.66 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 121.182 1.81 . . . . 0.0 109.934 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.26 -163.6 1.0 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -129.95 38.11 3.85 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 119.143 0.883 . . . . 0.0 109.244 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.89 114.32 1.21 Allowed Glycine 0 C--N 1.354 1.532 0 CA-C-O 117.089 -1.951 . . . . 0.0 109.697 -179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 m -133.68 175.39 11.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-N 119.255 1.527 . . . . 0.0 108.778 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.06 133.92 13.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.1 t -107.21 133.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -173.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -144.04 85.73 1.82 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.984 -174.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -24.85 109.73 0.01 OUTLIER Glycine 0 C--N 1.358 1.761 0 CA-C-O 116.5 -2.278 . . . . 0.0 112.592 -177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 89.8 p 119.19 -26.89 0.01 OUTLIER 'General case' 0 C--N 1.359 0.987 0 CA-C-N 118.742 1.271 . . . . 0.0 108.679 -165.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.11 168.8 41.18 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-O 118.473 -1.181 . . . . 0.0 111.419 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.0 t -137.31 143.12 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 132.92 49.59 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 114.774 -2.536 . . . . 0.0 107.195 -175.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 39' ' ' LEU . . . -133.04 143.99 49.75 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.725 1.602 . . . . 0.0 108.899 -169.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.12 135.51 47.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 CA-C-O 116.265 -1.826 . . . . 0.0 107.828 -172.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' N ' ' A' ' 38' ' ' ARG . 3.7 p90 -127.03 55.78 1.55 Allowed 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.16 -141.72 9.8 Favored Glycine 0 C--N 1.358 1.767 0 CA-C-O 116.808 -2.106 . . . . 0.0 108.011 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t 36.5 -113.18 0.09 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-N 118.976 1.388 . . . . 0.0 110.986 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.98 62.01 0.11 Allowed 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.355 1.434 . . . . 0.0 108.419 174.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.2 p -72.49 -52.57 15.2 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 119.361 -2.087 . . . . 0.0 106.951 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.045 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -70.4 -42.26 71.92 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.976 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.45 -30.73 66.37 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.498 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -78.17 -29.1 48.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 119.961 1.255 . . . . 0.0 109.144 174.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -62.0 -56.05 23.07 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.211 1.369 . . . . 0.0 108.25 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -55.85 -39.02 70.85 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.392 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 40.8 mtm -62.44 -41.74 98.96 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 120.226 1.376 . . . . 0.0 107.577 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -51.84 -47.49 64.37 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.9 -40.61 85.0 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.663 -1.161 . . . . 0.0 110.193 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.538 ' CE1' ' HB1' ' A' ' 16' ' ' ALA . 10.1 m-30 -55.46 -46.03 76.86 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.139 1.336 . . . . 0.0 111.928 -175.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -71.92 -43.26 68.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 8.0 mtt85 -61.1 -31.01 70.7 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -78.65 -27.14 45.26 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.759 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.57 39.73 3.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -176.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.608 0 C-N-CA 119.939 -1.124 . . . . 0.0 111.505 -176.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 79.7 mtp . . . . . 0 CA--C 1.507 -0.675 0 CA-C-O 117.432 -1.271 . . . . 0.0 113.448 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.79 -45.86 86.71 Favored Pre-proline 0 C--N 1.352 0.688 0 CA-C-N 120.937 1.699 . . . . 0.0 110.417 178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HG3' ' CD1' ' A' ' 87' ' ' TYR . 77.4 Cg_endo -89.14 -22.25 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 CA-C-N 123.096 2.141 . . . . 0.0 114.587 176.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.42 -35.51 12.91 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 121.521 1.964 . . . . 0.0 107.094 175.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -54.53 21.09 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.442 -1.266 . . . . 0.0 108.658 177.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -35.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 CA-C-N 120.554 1.525 . . . . 0.0 109.25 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.55 77.53 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.658 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.94 -32.18 1.53 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.08 -1.914 . . . . 0.0 112.866 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -125.99 -49.32 1.6 Allowed 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.905 1.23 . . . . 0.0 110.604 177.529 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 5.54 43.28 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-O 116.505 -2.275 . . . . 0.0 113.351 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.79 -4.84 48.46 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 121.018 2.409 . . . . 0.0 113.268 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.33 81.11 7.99 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 121.195 2.498 . . . . 0.0 104.64 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -47.54 -29.84 3.12 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.244 1.383 . . . . 0.0 110.267 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ILE . 43.9 t30 -44.95 -21.93 0.07 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-O 116.642 -1.647 . . . . 0.0 114.491 175.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.427 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.1 mp -6.6 149.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 119.762 3.245 . . . . 0.0 119.762 169.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.4 -52.23 2.73 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 116.951 -1.499 . . . . 0.0 110.371 -174.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -151.15 109.73 3.82 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-N 122.08 2.218 . . . . 0.0 111.531 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 mp -109.9 170.25 8.19 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-N 119.836 1.198 . . . . 0.0 108.7 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -138.57 71.79 1.4 Allowed 'General case' 0 C--N 1.357 0.923 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 176.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.79 148.47 42.99 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.577 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.69 173.4 11.93 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.956 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -33.38 -57.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 37' ' ' THR 0.286 0.9 OUTLIER -146.74 45.2 1.19 Allowed 'General case' 0 C--N 1.345 0.387 0 N-CA-C 104.636 -2.357 . . . . 0.0 104.636 179.575 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -146.65 136.23 23.02 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.616 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.2 pp -150.17 100.99 2.96 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.224 -1.846 . . . . 0.0 108.621 -176.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 -83.64 168.65 16.13 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 115.141 -2.362 . . . . 0.0 110.746 -173.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.67 62.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.209 0 CA-C-N 122.363 2.347 . . . . 0.0 112.667 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.7 m -75.31 117.02 16.66 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 112.325 -175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 m -147.85 163.98 6.22 Favored 'Isoleucine or valine' 0 C--N 1.363 1.181 0 CA-C-N 119.223 0.92 . . . . 0.0 110.691 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.23 -36.1 40.55 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.643 -1.17 . . . . 0.0 110.747 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -44.61 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.63 -1.176 . . . . 0.0 113.864 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.298 0.7 OUTLIER 42.33 19.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-N 121.017 1.735 . . . . 0.0 114.519 -174.804 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.8 t -69.73 -45.84 67.28 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.027 1.285 . . . . 0.0 108.704 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.64 22.52 3.13 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.916 0.76 . . . . 0.0 111.295 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' CD2' ' A' ' 23' ' ' PHE . 6.5 p -65.04 156.49 5.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 117.841 -1.076 . . . . 0.0 109.468 -170.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -103.7 66.13 0.85 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.956 0.798 . . . . 0.0 109.659 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -61.83 -41.33 97.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.695 1.134 . . . . 0.0 108.25 176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -42.88 -31.78 0.54 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 119.139 0.881 . . . . 0.0 112.149 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.99 -45.42 4.17 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.06 -1.411 . . . . 0.0 111.717 171.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -31.71 72.21 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 120.835 2.317 . . . . 0.0 107.79 -171.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -50.02 73.75 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -92.14 -45.38 8.3 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 124.092 0.87 . . . . 0.0 109.911 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -82.01 -26.69 33.61 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 118.219 -0.896 . . . . 0.0 109.611 -175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.84 -67.06 0.97 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 121.128 1.785 . . . . 0.0 109.184 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.17 -148.14 0.33 Allowed 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB3' ' CD1' ' A' ' 73' ' ' PHE . . . -160.86 59.45 0.31 Allowed 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.463 1.938 . . . . 0.0 110.451 169.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.69 71.69 0.01 OUTLIER Glycine 0 C--N 1.352 1.429 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -108.86 174.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.105 0 CA-C-N 118.576 1.188 . . . . 0.0 109.507 -175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.03 137.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.7 t -107.68 137.13 40.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -146.89 93.26 2.25 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 116.737 -1.601 . . . . 0.0 108.797 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -32.92 111.6 0.06 OUTLIER Glycine 0 C--N 1.358 1.792 0 CA-C-O 116.336 -2.369 . . . . 0.0 111.603 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 80.8 p 120.71 -24.12 0.01 OUTLIER 'General case' 0 C--N 1.36 1.022 0 CA-C-N 118.787 1.294 . . . . 0.0 109.591 -166.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.17 165.37 32.84 Favored Glycine 0 C--N 1.353 1.488 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.4 t -138.15 136.08 44.76 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 166.21 10.54 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 103.08 -2.933 . . . . 0.0 103.08 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.271 . . -159.75 115.42 2.44 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 121.285 1.857 . . . . 0.0 108.776 178.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -133.81 160.89 41.79 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 CA-C-O 117.61 -1.186 . . . . 0.0 108.173 -166.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 60' ' ' ALA . 1.5 t80 -119.86 -54.67 2.13 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-O 118.477 -0.773 . . . . 0.0 112.442 175.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 120.19 -69.61 0.37 Allowed Glycine 0 C--N 1.358 1.774 0 N-CA-C 109.976 -1.25 . . . . 0.0 109.976 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.2 m -162.34 -49.56 0.04 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.381 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -61.53 8.53 0.04 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.205 -1.855 . . . . 0.0 113.083 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.432 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 10.8 t -48.53 -49.47 35.99 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 124.195 3.18 . . . . 0.0 110.144 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -48.37 -40.18 24.77 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.403 1.001 . . . . 0.0 111.076 -176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -61.92 -48.14 81.76 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.246 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -50.16 15.27 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -48.22 -35.38 11.8 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.88 -0.581 . . . . 0.0 110.89 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m -58.77 -44.19 90.56 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 119.816 1.189 . . . . 0.0 109.635 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -53.98 -36.41 62.88 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.045 1.293 . . . . 0.0 109.144 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 62.4 mtt -66.79 -47.99 70.4 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -45.59 -51.62 11.76 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.359 0.982 . . . . 0.0 109.289 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.87 -48.53 31.19 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.899 -1.048 . . . . 0.0 111.227 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.481 ' CD1' ' HG3' ' A' ' 17' ' ' PRO . 9.4 t80 -51.81 -50.52 60.62 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 119.992 1.269 . . . . 0.0 113.453 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.2 mp -66.26 -41.38 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 -174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.5 mtm105 -63.39 -33.83 76.41 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.27 176.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -77.57 -22.51 50.85 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.907 -1.044 . . . . 0.0 111.663 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.73 36.81 4.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.61 0 C-N-CA 120.079 -1.058 . . . . 0.0 110.738 -175.681 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.6 mtm . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 116.82 -1.562 . . . . 0.0 113.044 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' N ' ' HD2' ' A' ' 17' ' ' PRO . . . -50.95 -43.93 85.11 Favored Pre-proline 0 C--N 1.353 0.721 0 CA-C-N 121.994 2.179 . . . . 0.0 111.351 173.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 16' ' ' ALA . 28.2 Cg_endo -74.09 -30.65 8.63 Favored 'Trans proline' 0 C--N 1.363 1.32 0 CA-C-N 123.662 2.344 . . . . 0.0 112.566 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 119.885 1.221 . . . . 0.0 108.818 171.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -65.37 -66.64 0.52 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 -177.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.8 p -43.96 -37.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.212 0 CA-C-N 121.446 1.93 . . . . 0.0 110.569 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.9 97.33 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.183 -1.007 . . . . 0.0 110.56 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -44.27 -28.56 0.54 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-O 115.252 -2.309 . . . . 0.0 114.61 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -129.58 -57.11 1.13 Allowed 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.838 2.108 . . . . 0.0 110.033 179.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.64 -24.4 62.02 Favored Glycine 0 C--N 1.36 1.877 0 CA-C-O 117.758 -1.579 . . . . 0.0 112.292 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -97.33 7.24 63.9 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 117.084 -1.953 . . . . 0.0 112.665 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -68.72 85.68 0.31 Allowed 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.791 -2.3 . . . . 0.0 104.791 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -52.11 -27.02 12.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.852 1.205 . . . . 0.0 110.772 -174.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -45.04 -27.65 0.59 Allowed 'General case' 0 C--N 1.357 0.927 0 CA-C-O 116.959 -1.496 . . . . 0.0 112.653 175.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER 4.59 123.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.957 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 168.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.19 -54.93 1.58 Allowed 'General case' 0 C--N 1.363 1.195 0 CA-C-O 116.691 -1.623 . . . . 0.0 112.473 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -142.83 94.74 2.67 Favored 'General case' 0 C--N 1.361 1.102 0 CA-C-N 122.663 2.483 . . . . 0.0 111.27 -176.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -125.93 -170.68 2.23 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 120.62 1.554 . . . . 0.0 107.166 -165.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -158.96 93.78 1.18 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 121.085 1.766 . . . . 0.0 107.859 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 152.91 33.96 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 119.792 1.178 . . . . 0.0 110.783 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -167.89 173.82 7.94 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-N 119.386 0.994 . . . . 0.0 111.951 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.357 0.0 OUTLIER -33.67 -81.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -174.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.14 27.48 9.57 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -143.02 119.9 11.27 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-O 117.005 -1.474 . . . . 0.0 108.117 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.583 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.8 pp -141.67 120.41 12.63 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-O 116.795 -1.574 . . . . 0.0 107.678 176.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -101.57 165.22 11.35 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 115.571 -2.157 . . . . 0.0 109.139 -173.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' LEU . 2.4 t -146.17 73.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.261 0 CA-C-N 119.901 1.228 . . . . 0.0 113.006 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.3 t -75.12 113.51 12.55 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 121.831 2.105 . . . . 0.0 112.719 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 m -145.06 162.49 13.21 Favored 'Isoleucine or valine' 0 C--N 1.365 1.271 0 CA-C-N 120.605 1.548 . . . . 0.0 112.5 175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -89.12 -17.91 28.28 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-O 116.539 -1.696 . . . . 0.0 111.374 173.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.36 76.37 0.01 OUTLIER 'General case' 0 C--N 1.356 0.87 0 CA-C-N 121.38 1.9 . . . . 0.0 109.263 169.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.4 p -100.97 61.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.002 0 N-CA-C 104.478 -2.416 . . . . 0.0 104.478 176.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.1 t -130.9 99.65 4.99 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 118.604 -0.713 . . . . 0.0 109.447 -170.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.28 42.11 25.24 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG13 ' HG3' ' A' ' 51' ' ' GLN . 1.4 p -80.75 -13.15 12.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-O 117.266 -1.35 . . . . 0.0 108.289 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 53.99 56.91 6.49 Favored 'General case' 0 C--N 1.36 1.042 0 CA-C-N 120.861 1.664 . . . . 0.0 107.792 174.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.404 ' HG3' HG13 ' A' ' 49' ' ' VAL . 23.7 mt-30 -76.33 -42.98 43.15 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -25.53 39.47 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 118.661 -0.685 . . . . 0.0 111.208 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.96 -43.13 7.76 Favored Glycine 0 C--N 1.354 1.566 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.195 169.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.509 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -69.37 -13.93 62.64 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.244 -1.36 . . . . 0.0 112.108 -170.184 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -44.96 28.53 Favored 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 120.204 1.365 . . . . 0.0 112.414 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -88.56 -39.74 13.9 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 124.264 0.978 . . . . 0.0 110.303 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.82 -36.62 14.12 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.529 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.6 -45.46 5.2 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 119.289 0.95 . . . . 0.0 112.012 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.81 -150.26 0.44 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.713 -1.613 . . . . 0.0 106.818 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.24 58.5 0.58 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 121.061 1.755 . . . . 0.0 108.308 175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 85.72 0.14 Allowed Glycine 0 C--N 1.355 1.617 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.0 175.03 4.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 119.304 1.552 . . . . 0.0 107.202 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.04 127.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 -177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.4 t -102.25 139.44 23.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-O 117.406 -1.283 . . . . 0.0 108.042 -173.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -149.16 87.28 1.52 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.824 -176.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -27.62 115.85 0.04 OUTLIER Glycine 0 C--N 1.358 1.75 0 CA-C-O 116.012 -2.549 . . . . 0.0 112.852 -176.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 92.4 p 112.03 -21.46 0.01 OUTLIER 'General case' 0 C--N 1.36 1.048 0 CA-C-N 119.149 1.474 . . . . 0.0 108.739 -165.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.7 171.63 38.35 Favored Glycine 0 C--N 1.352 1.455 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.6 t -148.19 151.53 13.32 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.181 0 N-CA-C 105.23 -2.137 . . . . 0.0 105.23 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -116.0 179.36 4.01 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 177.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.332 . . -159.71 127.03 4.65 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.165 -0.922 . . . . 0.0 109.269 175.163 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -145.63 152.87 13.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 -168.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.76 71.32 0.79 Allowed 'General case' 0 C--N 1.354 0.774 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 -179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.23 -81.08 0.02 OUTLIER Glycine 0 C--N 1.354 1.56 0 CA-C-O 118.596 -1.114 . . . . 0.0 113.93 -168.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.9 p -126.28 34.0 4.92 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.029 0.914 . . . . 0.0 110.589 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.47 49.67 1.41 Allowed 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 172.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -41.38 20.42 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.526 174.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -62.25 -48.4 80.1 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 118.905 -1.118 . . . . 0.0 108.508 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -61.52 -50.58 72.13 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.042 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.47 -44.28 80.41 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.269 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.73 -39.48 65.31 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.962 1.255 . . . . 0.0 111.014 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 76.7 p -67.35 -62.02 1.63 Allowed 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -53.89 -34.02 58.23 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.459 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.6 mtp -62.32 -47.42 84.32 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 121.574 1.988 . . . . 0.0 106.732 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.18 -48.98 44.66 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.15 -40.71 64.48 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.546 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -64.06 -48.66 75.36 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.571 1.078 . . . . 0.0 110.37 -173.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mp -65.0 -42.85 95.8 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -60.57 -33.7 73.08 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.581 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -75.18 -18.34 60.19 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.931 -1.033 . . . . 0.0 111.911 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.64 31.7 4.5 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.542 1.065 . . . . 0.0 110.285 -177.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.474 0 C-N-CA 119.719 -1.229 . . . . 0.0 110.337 -175.042 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.481 ' C ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 mtt . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 115.838 -2.03 . . . . 0.0 112.994 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' HB3' ' CD2' ' A' ' 87' ' ' TYR . . . -54.53 -29.14 4.69 Favored Pre-proline 0 C--N 1.35 0.628 0 CA-C-N 124.021 3.1 . . . . 0.0 115.021 178.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.481 ' HD2' ' C ' ' A' ' 15' ' ' MET . 88.0 Cg_endo -86.82 -41.36 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.237 0 CA-C-N 125.202 2.894 . . . . 0.0 110.942 -176.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.35 85.22 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.977 1.262 . . . . 0.0 109.204 170.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -59.33 2.95 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 -174.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 p -48.08 -35.8 5.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 CA-C-N 120.654 1.57 . . . . 0.0 109.203 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -38.28 90.49 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 119.033 -1.067 . . . . 0.0 110.18 -177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.71 -21.15 3.72 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 116.452 -1.737 . . . . 0.0 115.26 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.515 ' CB ' HD13 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -133.4 -55.88 0.9 Allowed 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.185 1.811 . . . . 0.0 109.343 177.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.61 -24.34 72.52 Favored Glycine 0 C--N 1.361 1.924 0 CA-C-O 117.399 -1.779 . . . . 0.0 112.889 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.99 11.15 71.25 Favored Glycine 0 C--N 1.358 1.759 0 CA-C-N 119.641 1.721 . . . . 0.0 111.778 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -86.4 74.32 9.98 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 101.705 -3.443 . . . . 0.0 101.705 172.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.58 -30.28 53.9 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 119.391 -0.923 . . . . 0.0 109.976 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -49.58 -18.66 0.46 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.827 -1.082 . . . . 0.0 113.816 176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -35.89 150.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.776 0 N-CA-C 117.07 2.248 . . . . 0.0 117.07 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.4 -59.73 2.44 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -131.21 148.91 52.76 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.762 1.165 . . . . 0.0 112.311 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 tt -152.18 135.43 15.87 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -120.07 69.85 0.86 Allowed 'General case' 0 C--N 1.357 0.893 0 CA-C-N 121.893 2.133 . . . . 0.0 107.067 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.06 146.62 49.79 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.368 -1.301 . . . . 0.0 110.699 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.36 172.39 12.33 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 119.689 1.131 . . . . 0.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.289 0.1 OUTLIER -32.06 -68.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.7 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.9 p -130.97 41.83 3.31 Favored 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.11 121.55 6.31 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 115.73 -2.081 . . . . 0.0 108.68 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.362 3.4 pp -116.78 -179.99 3.85 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-N 122.042 2.201 . . . . 0.0 108.984 169.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.67 161.11 43.01 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 115.444 -2.217 . . . . 0.0 106.698 173.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 23' ' ' PHE . 1.9 t -144.45 72.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-N 121.939 2.154 . . . . 0.0 109.073 -178.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -71.16 110.78 6.03 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-O 117.287 -1.34 . . . . 0.0 112.926 -175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -148.78 164.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 118.977 0.808 . . . . 0.0 112.754 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.04 -38.82 52.0 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 117.396 -1.288 . . . . 0.0 109.601 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.253 10.3 t70 -33.74 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 CA-C-O 116.819 -1.562 . . . . 0.0 113.798 -174.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . 0.284 0.8 OUTLIER 43.36 13.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.013 0 CA-C-N 122.08 2.218 . . . . 0.0 116.279 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 t -112.4 10.29 19.81 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 120.272 1.396 . . . . 0.0 111.686 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -172.77 -47.16 0.02 OUTLIER 'General case' 0 C--N 1.356 0.884 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.855 -178.346 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' LYS . 2.1 p -30.0 136.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.154 170.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -84.89 64.46 8.65 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 -174.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.463 ' OE1' ' CZ ' ' A' ' 23' ' ' PHE . 16.9 mt-30 -65.04 -42.31 94.43 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 -175.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.19 -32.85 3.23 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.284 0.99 . . . . 0.0 111.995 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.67 -40.5 6.74 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.525 -1.153 . . . . 0.0 110.846 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.515 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.79 -19.6 65.95 Favored 'General case' 0 CA--C 1.499 -1.008 0 CA-C-N 120.202 2.001 . . . . 0.0 109.433 -173.577 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -46.24 57.82 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -177.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -91.05 -44.62 9.19 Favored 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -89.32 -30.47 18.41 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.453 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -94.27 -36.66 5.61 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.178 -1.346 . . . . 0.0 113.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . -125.22 -150.57 0.45 Allowed 'General case' 0 C--N 1.356 0.871 0 N-CA-C 104.299 -2.482 . . . . 0.0 104.299 178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.91 56.4 0.31 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 122.312 2.323 . . . . 0.0 110.142 173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.08 76.84 0.05 OUTLIER Glycine 0 C--N 1.355 1.608 0 CA-C-O 117.522 -1.71 . . . . 0.0 109.099 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -112.69 173.17 2.82 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.964 0 CA-C-N 119.5 1.65 . . . . 0.0 108.234 -176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.45 137.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.1 131.22 61.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -142.91 84.82 1.85 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-O 116.714 -1.612 . . . . 0.0 108.562 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -25.0 108.78 0.01 OUTLIER Glycine 0 C--N 1.36 1.887 0 CA-C-O 115.97 -2.572 . . . . 0.0 111.968 -177.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 70.3 m 123.59 -31.3 0.01 OUTLIER 'General case' 0 C--N 1.361 1.083 0 CA-C-N 118.854 1.327 . . . . 0.0 108.444 -165.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.44 166.31 39.02 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-O 117.761 -1.577 . . . . 0.0 109.984 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -144.97 128.64 11.98 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -102.18 153.02 20.34 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 113.963 -2.922 . . . . 0.0 106.942 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.98 96.53 3.02 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-N 122.475 2.398 . . . . 0.0 111.822 -174.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.1 mp -110.15 158.56 10.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.408 -1.282 . . . . 0.0 110.562 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.34 -59.44 1.89 Allowed 'General case' 0 C--N 1.361 1.088 0 O-C-N 124.86 1.35 . . . . 0.0 109.446 172.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.79 70.06 1.17 Allowed Glycine 0 C--N 1.359 1.837 0 CA-C-O 117.394 -1.781 . . . . 0.0 110.482 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 m 61.5 -60.44 0.1 Allowed 'General case' 0 C--N 1.357 0.931 0 CA-C-N 118.651 1.225 . . . . 0.0 113.702 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' O ' ' C ' ' A' ' 77' ' ' SER . 14.8 ptmm? -44.22 -19.37 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 CA-C-O 116.351 -1.785 . . . . 0.0 111.463 174.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' LYS . 1.4 t -27.98 -56.86 0.11 Allowed 'General case' 0 C--N 1.361 1.076 0 CA-C-O 116.982 -1.485 . . . . 0.0 108.819 166.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.3 -51.39 45.57 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 120.004 1.275 . . . . 0.0 111.211 -173.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -51.12 -47.09 62.06 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.681 1.128 . . . . 0.0 110.336 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tp -62.75 -57.31 11.38 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -58.82 -33.58 70.56 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 120.895 -1.128 . . . . 0.0 109.881 -169.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 p -68.41 -50.28 53.98 Favored 'General case' 0 C--N 1.35 0.604 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -57.0 -35.55 69.35 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' ASP . 35.9 mtp -63.8 -53.32 52.6 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 118.169 -0.92 . . . . 0.0 111.442 178.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' MET . 19.0 t70 -41.72 -56.32 2.69 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 -176.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.1 -54.2 39.11 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 118.085 -0.96 . . . . 0.0 109.848 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.549 ' CD2' ' HB3' ' A' ' 16' ' ' ALA . 9.8 m-85 -51.12 -50.83 58.06 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 117.975 -1.012 . . . . 0.0 113.454 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.31 -45.8 92.38 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 120.578 1.535 . . . . 0.0 107.595 -175.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -59.63 -32.99 70.94 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.926 177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -75.35 -22.13 57.82 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.909 -1.043 . . . . 0.0 111.502 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -130.92 38.08 3.72 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 119.215 0.916 . . . . 0.0 109.484 -174.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.662 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -176.662 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 CA--C 1.506 -0.712 0 CA-C-O 118.338 -0.839 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' N ' ' CD ' ' A' ' 17' ' ' PRO . . . -50.52 -42.4 75.14 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 115.857 -2.021 . . . . 0.0 110.338 174.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 16' ' ' ALA . 6.5 Cg_endo -76.64 -38.12 1.06 Allowed 'Trans proline' 0 C--N 1.366 1.45 0 CA-C-N 123.785 2.388 . . . . 0.0 113.193 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.95 -33.05 16.41 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -73.17 0.12 Allowed 'General case' 0 C--N 1.357 0.92 0 CA-C-O 115.237 -2.316 . . . . 0.0 106.953 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' GLY . 12.6 p -40.0 -34.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.412 0 CA-C-N 122.335 2.334 . . . . 0.0 111.542 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.07 80.02 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.97 1.259 . . . . 0.0 111.719 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.33 -43.5 33.35 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.672 1.124 . . . . 0.0 112.601 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.735 ' HB3' HD13 ' A' ' 54' ' ' LEU 0.317 2.6 t80 -116.06 13.23 15.8 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 124.128 0.893 . . . . 0.0 113.075 177.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -147.54 25.25 1.52 Allowed Glycine 0 C--N 1.358 1.756 0 CA-C-O 118.055 -1.414 . . . . 0.0 113.549 170.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.29 52.67 0.53 Allowed Glycine 0 C--N 1.354 1.573 0 N-CA-C 106.42 -2.672 . . . . 0.0 106.42 175.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -117.19 72.13 0.82 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 102.229 -3.248 . . . . 0.0 102.229 -176.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -34.73 -34.25 0.03 OUTLIER 'General case' 0 C--N 1.349 0.578 0 CA-C-N 119.628 1.104 . . . . 0.0 113.354 -175.152 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' LYS . 60.2 t30 -50.41 -15.93 0.3 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 115.706 1.743 . . . . 0.0 115.706 174.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -10.53 142.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 171.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.18 -58.12 1.07 Allowed 'General case' 0 C--N 1.364 1.197 0 CA-C-O 117.063 -1.446 . . . . 0.0 112.309 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.41 ' C ' HD13 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -135.93 118.89 16.32 Favored 'General case' 0 C--N 1.361 1.067 0 CA-C-N 122.355 2.343 . . . . 0.0 109.859 -178.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.559 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -137.33 -178.54 5.26 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.321 1.419 . . . . 0.0 108.033 -171.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.76 78.92 1.0 Allowed 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.271 0.941 . . . . 0.0 108.823 176.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.97 152.56 44.3 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.123 -1.417 . . . . 0.0 111.44 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -174.36 177.11 2.29 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.78 1.173 . . . . 0.0 113.105 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.295 0.1 OUTLIER -32.91 -65.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.105 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -171.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.481 ' HA ' ' CE1' ' A' ' 73' ' ' PHE . 70.3 m -134.78 35.32 3.13 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 106.002 -1.851 . . . . 0.0 106.002 178.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -142.4 116.5 9.43 Favored 'General case' 0 C--N 1.361 1.067 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -170.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.293 3.9 pp -132.81 133.81 43.86 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 116.933 -1.508 . . . . 0.0 110.231 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.52 170.59 8.45 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.004 1.729 . . . . 0.0 110.322 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -158.18 86.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.6 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.0 t -93.55 101.67 13.85 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-O 116.222 -1.847 . . . . 0.0 111.13 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.2 m -141.3 166.54 17.82 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 CA-C-N 119.833 1.197 . . . . 0.0 113.892 -173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.5 -4.13 58.67 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.203 173.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.1 61.31 0.28 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 121.472 1.942 . . . . 0.0 108.946 170.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.7 p -96.64 17.89 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.994 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 172.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -57.27 -83.66 0.01 OUTLIER 'General case' 0 C--N 1.36 1.056 0 CA-C-N 119.694 1.134 . . . . 0.0 111.387 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' VAL . 0.0 OUTLIER -108.16 10.06 28.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.162 174.417 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.583 HG21 ' CD1' ' A' ' 23' ' ' PHE . 7.4 p -33.85 138.33 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 117.968 -1.015 . . . . 0.0 111.921 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -98.72 49.85 0.97 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.897 1.226 . . . . 0.0 108.721 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -42.32 76.39 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.86 -33.22 48.84 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.733 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.17 -42.47 8.69 Favored Glycine 0 C--N 1.353 1.509 0 N-CA-C 110.259 -1.137 . . . . 0.0 110.259 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -61.74 -26.53 68.13 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 119.34 1.57 . . . . 0.0 111.881 -167.025 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' CB ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -66.56 -43.79 84.08 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 119.856 1.207 . . . . 0.0 112.27 178.257 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -98.29 -7.2 29.5 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.809 -178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' O ' ' OE2' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -116.54 -25.59 7.37 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 116.444 -1.741 . . . . 0.0 111.959 179.69 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.27 -48.54 0.7 Allowed Glycine 0 C--N 1.358 1.754 0 CA-C-N 123.464 2.847 . . . . 0.0 111.98 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.5 -153.37 0.51 Allowed 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.831 -1.914 . . . . 0.0 105.831 171.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.83 46.46 1.87 Allowed 'General case' 0 C--N 1.354 0.774 0 CA-C-N 121.237 1.835 . . . . 0.0 109.638 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.57 123.29 2.12 Favored Glycine 0 C--N 1.351 1.372 0 N-CA-C 107.572 -2.211 . . . . 0.0 107.572 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.689 HG13 ' CB ' ' A' ' 55' ' ' LYS . 1.5 m -139.29 167.03 20.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 120.085 1.943 . . . . 0.0 106.978 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.8 m -133.69 140.71 45.98 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.676 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.0 t -115.44 119.35 61.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.58 113.49 16.16 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 115.916 -1.992 . . . . 0.0 107.154 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 67' ' ' SER . . . -47.27 116.24 2.51 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-N 123.101 2.682 . . . . 0.0 110.247 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 78.4 p 122.99 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.318 1.559 . . . . 0.0 108.963 -169.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 161.0 26.45 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.458 176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.8 t -130.74 154.53 40.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 -174.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -139.25 114.82 9.9 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 115.645 -2.122 . . . . 0.0 107.847 -169.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.51 156.45 17.28 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.773 1.629 . . . . 0.0 110.985 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.65 140.52 19.04 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 113.811 -2.995 . . . . 0.0 106.76 -177.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.481 ' CE1' ' HA ' ' A' ' 37' ' ' THR 0.335 11.5 p90 -125.62 37.86 4.28 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-N 123.425 2.83 . . . . 0.0 110.945 -177.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.29 56.67 0.47 Allowed Glycine 0 C--N 1.36 1.912 0 O-C-N 124.153 0.908 . . . . 0.0 111.538 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . 0.288 54.4 m -148.98 -43.18 0.15 Allowed 'General case' 0 C--N 1.35 0.622 0 O-C-N 124.778 0.928 . . . . 0.0 108.611 174.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.07 54.23 1.95 Allowed 'General case' 0 C--N 1.358 0.973 0 CA-C-N 120.222 1.374 . . . . 0.0 109.365 165.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.7 p -51.25 -44.56 61.76 Favored 'General case' 0 C--N 1.358 0.944 0 O-C-N 119.712 -1.868 . . . . 0.0 110.109 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.02 -41.75 99.61 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.252 -0.88 . . . . 0.0 112.052 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.12 -39.62 75.35 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.397 0.999 . . . . 0.0 109.227 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.49 -24.82 60.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.055 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -77.54 -37.44 50.83 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 173.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m -55.37 -59.45 4.78 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 120.073 1.306 . . . . 0.0 109.569 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 57' ' ' LEU . 12.7 pt-20 -53.08 -32.64 48.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 119.001 -1.08 . . . . 0.0 112.36 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.0 mtp -71.1 -47.0 60.67 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -43.63 -50.02 7.5 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.9 -43.79 49.74 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.319 -1.324 . . . . 0.0 111.106 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.407 ' CZ ' HG13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -55.93 -51.52 67.37 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-N 120.702 1.592 . . . . 0.0 111.543 -177.327 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.407 HG13 ' CZ ' ' A' ' 87' ' ' TYR . 2.3 mp -64.52 -43.5 96.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.72 -33.22 74.68 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.931 -0.708 . . . . 0.0 110.661 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -81.09 -18.48 46.4 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.039 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.17 39.15 3.7 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.206 0.912 . . . . 0.0 108.835 -178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.666 0 C-N-CA 119.895 -1.145 . . . . 0.0 110.583 -175.283 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 15.5 ptp . . . . . 0 CA--C 1.509 -0.633 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.46 80.61 Favored Pre-proline 0 C--N 1.356 0.867 0 CA-C-O 116.457 -1.735 . . . . 0.0 108.062 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -89.22 -19.78 1.48 Allowed 'Trans proline' 0 C--N 1.362 1.289 0 CA-C-N 123.308 2.217 . . . . 0.0 114.922 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.85 -31.85 5.49 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 121.897 2.135 . . . . 0.0 107.501 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.16 -65.08 0.66 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-O 115.627 -2.13 . . . . 0.0 107.594 174.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.2 p -45.36 -37.92 2.12 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 CA-C-N 123.044 2.656 . . . . 0.0 110.813 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.79 92.22 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 119.362 -0.935 . . . . 0.0 111.139 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.27 -21.06 3.09 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 115.768 -2.063 . . . . 0.0 115.831 -176.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CD1' HG21 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -130.37 -54.81 1.1 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.209 1.822 . . . . 0.0 110.473 176.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.24 -31.3 78.62 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-O 118.504 -1.164 . . . . 0.0 111.603 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.54 4.73 83.99 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-O 117.599 -1.667 . . . . 0.0 113.228 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -74.0 81.46 1.71 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.373 -2.084 . . . . 0.0 105.373 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.42 -34.9 50.57 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 119.333 -0.947 . . . . 0.0 111.033 -174.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -47.64 -29.66 3.14 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -23.05 155.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.714 0 N-CA-C 119.851 3.278 . . . . 0.0 119.851 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 35.7 p -97.66 -63.73 1.1 Allowed 'General case' 0 C--N 1.362 1.135 0 CA-C-O 117.805 -1.093 . . . . 0.0 112.896 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -147.88 121.6 9.25 Favored 'General case' 0 C--N 1.362 1.124 0 CA-C-N 120.58 1.536 . . . . 0.0 112.393 -174.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.73 170.81 8.31 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.93 60.9 1.69 Allowed 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.97 143.8 57.41 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.854 -178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -169.1 165.85 11.06 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 116.58 -1.676 . . . . 0.0 110.193 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 35' ' ' CYS 0.318 0.0 OUTLIER -10.1 -99.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.699 -1.62 . . . . 0.0 114.994 -177.743 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -101.97 17.14 23.92 Favored 'General case' 0 C--N 1.36 1.057 0 CA-C-N 121.562 1.983 . . . . 0.0 111.004 171.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.8 132.83 56.4 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -175.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 71' ' ' ALA 0.33 2.2 pp -141.3 167.17 22.82 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 175.138 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -152.5 161.55 42.43 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 113.783 -3.008 . . . . 0.0 107.211 -173.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 23' ' ' PHE . 1.4 t -137.78 60.45 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.151 0 CA-C-N 123.372 2.805 . . . . 0.0 112.377 -174.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.0 p -72.0 88.83 1.09 Allowed 'General case' 0 C--N 1.355 0.843 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.8 163.12 13.57 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.322 -174.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 46' ' ' VAL . . . -92.12 -12.03 34.08 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.185 -1.388 . . . . 0.0 111.347 173.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -62.8 79.55 0.02 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-N 120.793 1.633 . . . . 0.0 107.122 170.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' ALA . 12.2 p -103.54 41.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 174.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 t -84.64 72.57 10.68 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-O 118.844 -0.598 . . . . 0.0 109.808 -172.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.82 54.72 4.59 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 49' ' ' VAL 0.3 0.2 OUTLIER -87.39 61.04 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -171.853 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 49' ' ' VAL . 42.8 p30 15.62 57.86 0.01 OUTLIER 'General case' 0 C--N 1.362 1.146 0 C-N-CA 123.643 0.777 . . . . 0.0 112.489 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -76.95 -41.3 43.78 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -174.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.78 -20.7 23.72 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.998 173.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.6 -36.54 7.9 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-O 118.032 -1.427 . . . . 0.0 111.335 170.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -74.5 -11.79 60.31 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.731 1.765 . . . . 0.0 111.907 -172.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.648 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -82.5 -32.76 28.59 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 119.582 1.083 . . . . 0.0 113.289 177.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -100.14 -17.58 17.34 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.689 -1.148 . . . . 0.0 111.984 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 57' ' ' LEU . 0.9 OUTLIER -112.17 -26.91 8.57 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.367 0.985 . . . . 0.0 112.651 179.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -100.16 -41.84 2.73 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-N 120.881 1.673 . . . . 0.0 111.955 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.23 -150.54 0.45 Allowed 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -147.41 44.52 1.13 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 121.572 1.987 . . . . 0.0 108.102 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.19 107.94 1.11 Allowed Glycine 0 C--N 1.353 1.488 0 N-CA-C 107.106 -2.398 . . . . 0.0 107.106 -172.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.648 HG13 ' HB2' ' A' ' 55' ' ' LYS . 3.9 m -129.93 172.29 16.0 Favored 'Isoleucine or valine' 0 C--N 1.353 0.748 0 N-CA-C 104.143 -2.54 . . . . 0.0 104.143 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.96 127.24 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.578 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.5 t -103.19 124.9 57.62 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 -173.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 66' ' ' GLY . . . -136.48 82.52 1.95 Allowed 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.205 -1.379 . . . . 0.0 108.437 -177.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 65' ' ' ALA . . . -22.11 110.37 0.01 OUTLIER Glycine 0 C--N 1.359 1.829 0 CA-C-O 116.46 -2.3 . . . . 0.0 113.214 -176.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 66' ' ' GLY . 46.1 t 119.81 -33.3 0.01 OUTLIER 'General case' 0 C--N 1.359 1.008 0 CA-C-N 118.944 1.372 . . . . 0.0 107.864 -167.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.35 158.02 30.76 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-O 117.849 -1.528 . . . . 0.0 110.269 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.4 t -138.02 152.97 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.842 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.48 145.8 49.15 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-O 113.937 -2.935 . . . . 0.0 108.102 -175.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 39' ' ' LEU . . . -140.91 117.71 11.03 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-N 122.21 2.277 . . . . 0.0 111.825 -170.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.2 mp -120.69 123.56 70.57 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 CA-C-O 116.073 -1.918 . . . . 0.0 106.718 -168.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 73' ' ' PHE 0.264 0.0 OUTLIER -93.47 -11.98 30.8 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 121.212 1.824 . . . . 0.0 108.992 176.811 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 57.56 -163.41 7.73 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 121.061 1.755 . . . . 0.0 111.14 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.6 t -62.79 -29.38 70.67 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 118.913 -1.115 . . . . 0.0 110.017 172.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -54.31 -20.29 6.91 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 116.51 -1.71 . . . . 0.0 111.013 -178.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.2 p -29.75 -41.51 0.03 OUTLIER 'General case' 0 C--N 1.361 1.106 0 CA-C-N 120.976 1.716 . . . . 0.0 115.5 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.65 -44.44 96.97 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.349 -177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -65.06 -34.18 77.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.496 -0.764 . . . . 0.0 111.797 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.8 -50.75 12.74 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -48.32 -46.91 37.01 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.497 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 m -49.09 -41.09 34.52 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 120.299 1.409 . . . . 0.0 111.076 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.21 -40.2 93.85 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.4 mtp -64.16 -50.66 67.3 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.928 0.785 . . . . 0.0 109.155 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -40.36 -43.45 1.76 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 118.718 0.69 . . . . 0.0 109.47 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -41.72 82.59 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 117.524 -1.227 . . . . 0.0 110.63 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -52.89 -50.54 63.68 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.869 1.668 . . . . 0.0 111.637 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.1 mp -70.97 -45.58 72.16 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -170.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -62.42 -32.77 73.66 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.924 -0.71 . . . . 0.0 111.066 177.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -77.65 -25.58 49.76 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.6 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.87 38.98 4.08 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.725 0 N-CA-C 109.634 -1.387 . . . . 0.0 109.634 -179.184 . . . . . . . . 0 0 . 1 stop_ save_